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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,5-dimethylphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dimethylphenyl dodecyl ester
SpectraBase Compound ID 4T4PQzi1PPV
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-13-16-19-24-33-29(31)20-17-14-11-12-15-18-21-30(32)34-28-25-26(2)22-23-27(28)3/h22-23,25H,4-21,24H2,1-3H3
InChIKey MVQSVTRVDIDLLI-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 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 8V8ODCin4TT
Name Sebacic acid, 2,5-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-13-16-19-24-33-29(31)20-17-14-11-12-15-18-21-30(32)34-28-25-26(2)22-23-27(28)3/h22-23,25H,4-21,24H2,1-3H3
InChIKey MVQSVTRVDIDLLI-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCCCCCCCCCCCC)=O