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

*Links on SpectraBase are not permalinks.
Pimelic acid, 2,3-dimethylphenyl octyl ester
SpectraBase Compound ID CBgn9CUDjJQ
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-12-18-26-22(24)16-10-9-11-17-23(25)27-21-15-13-14-19(2)20(21)3/h13-15H,4-12,16-18H2,1-3H3
InChIKey BKIKVNUBJABRAN-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CGpsrxRR3TO
Name Pimelic acid, 2,3-dimethylphenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-5-6-7-8-12-18-26-22(24)16-10-9-11-17-23(25)27-21-15-13-14-19(2)20(21)3/h13-15H,4-12,16-18H2,1-3H3
InChIKey BKIKVNUBJABRAN-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCCCC)=O
SPLASH splash10-00di-5910000000-b1a1211b8662b9144374
Source of Spectrum TIPS-2022-477-0
Wiley ID 1821994