CIS-3-HEXENYL SALICYLATE(65405-77-8) IR1
Product NameCIS-3-HEXENYL SALICYLATE
CAS65405-77-8
Molecular FormulaC13H16O3
Molecular Weight220.26
InChIInChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
InChIKey IEPWIPZLLIOZLU-ARJAWSKDSA-N
SmilesC(OCC/C=C\CC)(=O)C1=CC=CC=C1O
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Assign. Shift(ppm)
A 10.78 B 7.83 C 7.43 D 6.97 E 6.87 F *1 5.55 G *1 5.40 J 4.342 K 2.52 L 2.09 M 0.98Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
170.16 387 1 161.85 591 2 135.59 823 3 * 134.98 849 4 * 129.95 882 5 123.41 1000 6 119.08 871 7 117.61 941 8 112.65 457 9 64.82 941 10 26.78 780 11 20.71 796 12 14.21 651 13Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid
