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

*Links on SpectraBase are not permalinks.

Sebacic acid, 4-chloro-2-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-2-methylphenyl decyl ester
SpectraBase Compound ID 8dBWtNnCtq3
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-10-13-16-21-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-20-19-24(28)22-23(25)2/h19-20,22H,3-18,21H2,1-2H3
InChIKey MNLHUUSGIFCMIH-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 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 8hYrkoq6ocP
Name Sebacic acid, 4-chloro-2-methylphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-10-13-16-21-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-20-19-24(28)22-23(25)2/h19-20,22H,3-18,21H2,1-2H3
InChIKey MNLHUUSGIFCMIH-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(C(OC=1C(C)=CC(=CC1)Cl)=O)CCCCCCCC(OCCCCCCCCCC)=O