2-N-HEXYLCYCLOPENTANONE(13074-65-2) Raman
Molecular FormulaC11H20O
Molecular Weight168.28
InChIInChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3
InChIKey JTHVYOIHZNYRCC-UHFFFAOYSA-N
SmilesC1(=O)CCCC1CCCCCC
-
Assign. Shift(ppm)
A *1 2.828
B *2 2.209
C *1 2.100
D *3 2.01
E *3 1.76
F *2 1.524
G 1.32
J 1.28
K *3 1.24
L 0.878
ASSIGNED BY C-H COSY
Spectral Code: 1H NMR : 400 MHz in CDCl3
-
Spectral Code: IR : liquid film
-
Spectral Code: Raman : 4880 A,200 M,liquid