CROTONIC ACID CIS-3-HEXEN-1-YL ESTER(65405-80-3) IR1
Product NameCROTONIC ACID CIS-3-HEXEN-1-YL ESTER
CAS65405-80-3
Molecular FormulaC10H16O2
Molecular Weight168.23
InChIInChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4-6,8H,3,7,9H2,1-2H3/b6-5-,8-4+
InChIKey KITGYVIOYOCIIE-QNMAEOQASA-N
SmilesC(OCC/C=C\CC)(=O)/C=C/C
-
Assign. Shift(ppm)
A 6.960 B 5.843 C 5.495 D 5.346 E 4.117 F 2.40 G 2.02 J 1.873 K 0.971Spectral Code: 1H NMR : 90 MHz in CDCl3
-
ppm Int. Assign.
166.44 435 1 144.40 897 2 134.50 924 3 123.95 989 4 * 122.90 946 5 * 63.73 1000 6 26.96 924 7 20.69 870 8 17.91 734 9 14.27 668 10Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : liquid film
-
Spectral Code: Raman : 4880 A,200 M,liquid
