NMR EXAMPLE

¹H NMR (300 MHz; (CD₃)₂CO)

11.76 (1 H, s, OH (naph.) [exch]),

8.74 (1 H, dd, J 8.5 and 1.0, naph.),

8.10 (1 H, d, J 9.0, naph.),

7.89 (1 H, dd, J 8.5 and 1.5, naph.),

7.86 (1 H, dd, J 6.5 and 2.0, cyclop.),

7.59 (1 H, ddd, J 8.5, 7.0 and 1.5, naph.),

7.41 (1 H, ddd, J 8.5, 7.0 and 1.0, naph.),

7.22 (1 H, d, J 9.0, naph.),

6.50 (1 H, dd, J 6.5 and 2.0, cyclop.),

6.18 (1 H, q, J 2.0, cyclop.),

5.26 (1 H, d, J 5.5, OH (cyclop.) [exch]),

4.69 (1 H, dd, J 5.5 and 2.0, cyclop.)

---

Reference s

J. H. Clark, Chem. Rev., 1980, 80, 429 doi:10.1021/cr60327a004
E. J. Corey, A. Venkateswarlu, J. Am. Chem. Soc., 1972, 94, 6190 doi:10.1021/ja00772a043

A. B. Smith, III, G. R. Ott, J. Am. Chem. Soc., 1996, 118, 3095 (TBAF/AcOH)
K. C. Nicolaou, S. E. Webber, Synthesis, 1986, 453 (HF.py) doi:10.1055/s-1986-31673

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1-((3-methoxyphenyl)sulfonyl)piperidine ...learn spectroscopy

1-((3-methoxyphenyl)sulfonyl)piperidine (2) is a crystalline white solid

1-((3-Methoxyphenyl)sulfonyl)piperidine: Piperidine,

1-[(3-methoxyphenyl)sulfonyl]-; (2) cas no (173681-65-7)

mp 115-116 °C;

¹H NMR pdf

(400 MHz, DMSO-d₆, 2.50 ppm)

δ: 1.30-1.35 (m, 2 H, N(CH₂CH₂)₂CH₂),

1.47-1.52 (m, 4 H, N(CH₂CH₂)₂CH₂),

2.85 (t, J = 5.2 Hz, 4 H, N(CH₂CH₂)₂CH₂),

3.83 (s, 3 H, OMe),

7.16 (t, J = 2.1 Hz, 1 H, Ar-H),

7.25-7.30 (m, 2 H, Ar-H),

7.55 (t, J = 8.0 Hz, 1 H, Ar-H);

¹³C NMR pdf

(100 MHz, DMSO-d₆, 39.5 ppm)

δ: 22.8, 24.7, 46.6, 55.6, 112.3, 118.7, 119.5, 130.5, 136.7, 159.5;

IR n_max (film)/cm^-1 2940, 2851, 1597, 1478, 1359, 1340, 1318, 1287, 1241, 1167, 1098, 1040, 931, 856, 724, 688; (principal peaks);

HRMS (FTMS+p-NSF) found m/z 256.1002 [M+H]⁺, C₁₂H₁₈ NO₃S requires m/z 256.1002.

Reverse phase HPLC analysis reveals purity >99% (run on an Agilent Zorbax SB-C18, 5 µm, 4.6 x 150 mm column (23 °C) at a flow rate of 1.5 mL/min of 75:25 MeCN:H₂O observed at 210 nm giving a retention time of 1.95 min, 1.0 mg/mL in MeCN).

ETHYL BROMIDE NMR

..................

 

5-fluoro-2-iodoaniline NMR

 


                                                                    5-fluoro-2-iodoaniline

NMR Data

1H nmr. CDCl₃. 

4.21 (2H, bs, NH₂), 

6.28 (1H, td, J = 8.5, 2.8), 

6.49 (1H, dd, J = 10.5, 2.8), 

7.57 (1H, dd, 8.7, 6.2)

---

 Reference

B. Gabriele, G. Salerno, L. Veltri, M. Costa, C. Massera, Eur. J. Org. Chem. 2001, 4607.

5 -Fluoro-2-iodonitrobenzene (17.4 g; 65.2 mmol) was dissolved in a mixture of ethanol (100 mL) and acetic acid (12 mL) in a large RB flask (at least 500 mL) equipped with an efficient condenser, and the stirred mixture brought to a gentle reflux. Iron powder (26.6 g) was added, followed immediately by iron(III) chloride hexahydrate (3 g). The mixture was refluxed for a further 3 hours, then cooled and filtered using a Buchner funnel (with the help, when necessary, of the addition of ether or ethanol.) To the filtrate was added ether (_{300 mL) and water (}300 mL), and the aqueous layer was repeatedly extracted with ether. The combined organic layers were dried and concentrated, giving 5-fluoro-2-iodoaniline and a pure white solid (14.27 g; 92%).

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VALERIC ACID, ペンタン酸 NMR

valeric acid
pentansäure
acide pentanoic
ペンタン酸
109-52-4 CAS
C5H10O2



..................................................................................


1H NMR
Predict NMR spectrum














13C NMR

Shift (ppm)	Mult.
180.8	S
33.8	T
26.8	T
22.4	T
3.58

......................

2D [1H,1H]-TOCSY

...............

1D DEPT90

....................

1D DEPT135

.....................

2D [1H,13C]-HSQC

...........................

2D [1H,13C]-HMBC

....................

IR

ONE MORE CARBON  HEXANOIC ACID

Novel Oxazolidinone Antibacterial Candidate FYL-67 …..(S)-N-((3-(3-Fluoro-4-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)phenyl)-2-oxo-oxazolidin-5-yl)methyl)acetamide « New Drug Approvals

Novel Oxazolidinone Antibacterial Candidate FYL-67 …..(S)-N-((3-(3-Fluoro-4-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)phenyl)-2-oxo-oxazolidin-5-yl)methyl)acetamide « New Drug Approvals:



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