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

*Links on SpectraBase are not permalinks.

Pentanoic acid, 1,1-dimethylethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Pentanoic acid, 1,1-dimethylethyl ester
SpectraBase Compound ID 6loAqxjBoqf
InChI InChI=1S/C9H18O2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3
InChIKey SCSLUABEVMLYEA-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 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 3WN3tAwiv2Y
Name tert-Butyl pentanoate
CAS Registry Number 23361-78-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-6-7-8(10)11-9(2,3)4/h5-7H2,1-4H3
InChIKey SCSLUABEVMLYEA-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(=O)(CCCC)OC(C)(C)C
SPLASH splash10-0a4i-9000000000-22847940a6c7a710ceeb
Synonyms Pentanoic acid tert-butyl ester Pentanoic acid, 1,1-dimethylethyl ester valeric acid tert-butyl ester
Wiley ID 1494705