For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-chloro-3-methylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-3-methylphenyl dodecyl ester
SpectraBase Compound ID ICiDQ3F7aHx
InChI InChI=1S/C29H47ClO4/c1-3-4-5-6-7-8-9-12-15-18-23-33-28(31)19-16-13-10-11-14-17-20-29(32)34-26-21-22-27(30)25(2)24-26/h21-22,24H,3-20,23H2,1-2H3
InChIKey YJJQIKNTLHVOMF-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Atv4m4Vq8oL
Name Sebacic acid, 4-chloro-3-methylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-3-4-5-6-7-8-9-12-15-18-23-33-28(31)19-16-13-10-11-14-17-20-29(32)34-26-21-22-27(30)25(2)24-26/h21-22,24H,3-20,23H2,1-2H3
InChIKey YJJQIKNTLHVOMF-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(CCCCCCC(OC1=CC(C)=C(C=C1)Cl)=O)CC(OCCCCCCCCCCCC)=O