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Showing posts with label 3 ACETYL COUMARIN. Show all posts
Showing posts with label 3 ACETYL COUMARIN. Show all posts

Tuesday, 23 September 2014

Your sister will teach you spectroscopy..3 ACETYL COUMARIN


 




3 ACETYL COUMARIN
CAS 3949-36-8
Synonym Name:
3-Acetyl-2H-chromen-2-one; 2H-1-benzopyran-2-one,
3-acetyl-; 3-acetyl-chromen-2-one
Synthesis Reference:
Monatshefte fur Chemie, 121, p. 85, 1990
H1 NMR Spectrum
Liu, Jinbing; Wu, Fengyan; Chen, Lingjuan; Zhao, Liangzhong; Zhao, Zibing; Wang, Min; Lei, Sulan
Food Chemistry, 2012 ,  vol. 135,  4  pg. 2872 - 2878

1H NMR, 400 MHZ
chloroform-d1
1H NMR (400 MHz, CDCl3):
δ 8.49 (s, 1H, C=CH),
7.65-7.63 (m, 2H, Ph-H),
7.37-7.32 (m, 2H, Ph-H),
2.71 (s, 3H, CH3)


13 C NMR
(100 MHz, CDCl3)
δ 195.41 (1C),  C=O OF ACETYL
159.17 (1C), C=O OF COUMARIN
155.27 (1C), ARC-O-C=O
147.39 (1C),
134.33 (1C),
130.17 (1C),
124.92 (1C),
124.48 (1C),

118.20 (1C),
116.63 (1C),
30.49 (1C)    -CH3

IR (KBr): 3078, 3026,
1723,  C=O
1675, 1598, 1556, 1441, 1406, 1351, 1297, 1220, 1198, 1162, 1098, 967, 762 cm-1