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

*Links on SpectraBase are not permalinks.
Pimelic acid, dec-2-yl isobutyl ester
SpectraBase Compound ID CJpeOTp9rPY
InChI InChI=1S/C21H40O4/c1-5-6-7-8-9-11-14-19(4)25-21(23)16-13-10-12-15-20(22)24-17-18(2)3/h18-19H,5-17H2,1-4H3
InChIKey REITWJMOVKRASU-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 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 4wcfntfePKt
Name Pimelic acid, dec-2-yl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-5-6-7-8-9-11-14-19(4)25-21(23)16-13-10-12-15-20(22)24-17-18(2)3/h18-19H,5-17H2,1-4H3
InChIKey REITWJMOVKRASU-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCC(OC(CCCCCCCC)C)=O)(OCC(C)C)=O
SPLASH splash10-054p-6900000000-1699ce82b44f4d7491f4
Source of Spectrum TIPS-2022-924-0
Wiley ID 1822441