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Sunday, 4 January 2015

SKATOLE スカトール



Name:Skatole;3-Methylindole
Synonyms:Skatole;3-Methylindole;1H-Indole, 3-methyl-;3-METHYLINDOLE;3-MI;3-Methyl-1H-indole;3-Methyl-4,5-benzopyrrole;83-34-1;AI3-24372;CCRIS 8961;EINECS 201-471-7;FEMA No. 3019;HSDB 3511;Indole, 3-methyl-;NSC 122024;Scatole;Skatol;beta-Methylindole;3-methyl-1H-indole;HMDB00466;;b-Methylindole;methyl-3-indole
Molecular Weight:131.17446
Formula:C9H9N
CAS:83-34-1













1. 1D-1H: 
1D 1H



NAME=expnmr_00539, EXPNO=1, PROCNO=1
ID [PPM] Intensity
1 7.590 11.105
2 7.574 12.000
3 7.334 10.482
4 7.319 13.010
5 7.201 6.126
6 7.185 11.592
7 7.171 7.532
8 7.135 8.993
9 7.119 12.705
10 7.105 5.835
11 6.947 15.242
12 2.333 100.501







2. 2D-[1H,1H]-TOCSY:


2D 1H-TOCSY


3. 1D-13C: 


1D 13C





NAME=expnmr_00539, EXPNO=3, PROCNO=1
ID [PPM] Intensity
1 136.232 11.101
2 128.260 16.695
3 121.854 44.050
4 121.561 27.046
5 121.533 30.391
6 119.089 42.257
7 118.822 61.450
8 111.711 13.528
9 110.929 52.474
10 9.683 24.650
11 9.657 17.809



4. 1D-13C DEPT90: 


1D 13C DEPT90





NAME=expnmr_00539, EXPNO=4, PROCNO=1
ID [PPM] Intensity
1 121.844 1
2 121.542 1
3 119.09 1
4 118.808 1
5 110.916 1





5. 1D-13C DEPT135: 


1D 13C DEPT135







NAME=expnmr_00539, EXPNO=5, PROCNO=1
ID [PPM] Intensity
1 121.844 1
2 121.542 1
3 119.09 1
4 118.808 1
5 110.916 1
6 9.652 1







6. 2D-[1H,13C]-HSQC: 


2D [1H,13C]-HSQC


NAME=expnmr_00539, EXPNO=6, PROCNO=1
ID [PPM_1] [PPM_2]
1 7.186 121.477
2 6.944 121.212
3 7.579 118.565
4 7.115 118.548
5 7.325 110.554
6 2.333 9.575

















7. 2D-[1H,13C]-HMBC:


2D [1H,13C]-HMBC


 





8. 2D-[1H,1H]-COSY:


2D [1H,1H]-COSY






















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