Dodecylbenzene(123-01-3) MS
Product NameDodecylbenzene
CAS123-01-3
Molecular FormulaC18H30
Molecular Weight246.43
InChIInChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
InChIKey KWKXNDCHNDYVRT-UHFFFAOYSA-N
SmilesC1(CCCCCCCCCCCC)=CC=CC=C1
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Assign. Shift(ppm)
A 7.39 to 7.01 B 2.59 C 1.60 D 1.26 E 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
142.91 333 1 128.40 776 2 * 128.21 771 3 * 125.55 393 4 36.07 338 5 32.00 353 6 31.58 353 7 29.74 1000 8 # 29.61 473 9 # 29.43 672 10 # 22.75 378 11 14.13 289 12Spectral Code: 13C NMR : in CDCl3
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Spectral Code: Raman : 4880 A,200 M,liquid
