3-DODECANONE(1534-27-6) IR1
Product Name3-DODECANONE
CAS1534-27-6
Molecular FormulaC12H24O
Molecular Weight184.32
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
InChIKey PERIHWAPLOBAJM-UHFFFAOYSA-N
SmilesCCC(=O)CCCCCCCCC
-
Assign. Shift(ppm)
A 2.41 B 2.39 C 1.56 D 1.26 E 1.050 F 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
-
ppm Int. Assign.
211.69 270 1 42.47 417 2 35.87 407 3 31.96 461 4 29.52 1000 5 * 29.37 784 6 * 24.05 480 7 22.74 412 8 14.11 353 9 7.88 309 10Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : liquid film