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

*Links on SpectraBase are not permalinks.

Pentadecyl 3-methylbutanoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Pentadecyl 3-methylbutanoate
SpectraBase Compound ID HCHOdkhI4Hx
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(21)18-19(2)3/h19H,4-18H2,1-3H3
InChIKey NJOJSCYAQJIGHN-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 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 ASCRtYemT15
Name Isovaleric acid, pentadecyl ester
Classification Fatty alcohol esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20(21)18-19(2)3/h19H,4-18H2,1-3H3
InChIKey NJOJSCYAQJIGHN-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
Number of Peaks 22
SMILES C(CC(C)C)(=O)OCCCCCCCCCCCCCCC
SPLASH splash10-0zg0-9600000000-31e400ee427b014ee181
Source of Spectrum FF-29-257-257_7 (DOI: 10.1002/ffj.3205)
Synonyms Pentadecyl 3-methylbutanoate 3-Methylbutanoic acid pentadecyl ester
Wiley ID 1775722