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

*Links on SpectraBase are not permalinks.

3-Chloropropanoic acid, 2-pentyl ester

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

3-Chloropropanoic acid, 2-pentyl ester
SpectraBase Compound ID ImqJb2w5tCF
InChI InChI=1S/C8H15ClO2/c1-3-4-7(2)11-8(10)5-6-9/h7H,3-6H2,1-2H3
InChIKey ZODXJJOAYWVAGY-UHFFFAOYSA-N
Mol Weight 178.66 g/mol
Molecular Formula C8H15ClO2
Exact Mass 178.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID APUIhMUTbSi
Name 1-Methylbutyl 3-chloropropanoate
CAS Registry Number 88736-67-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15ClO2
InChI InChI=1S/C8H15ClO2/c1-3-4-7(2)11-8(10)5-6-9/h7H,3-6H2,1-2H3
InChIKey ZODXJJOAYWVAGY-UHFFFAOYSA-N
Molecular Weight 178.659 g/mol
SMILES C(CC(=O)OC(CCC)C)Cl
SPLASH splash10-0006-9100000000-65a2ed461bb0c2822ecd
Source of Spectrum NP-2-8511-0
Synonyms 3-Chloropropanoic acid, 2-pentyl ester 3-Chloropropanoic acid pentan-2-yl ester Pentan-2-yl 3-chloropropanoate Pentan-2-yl 3-chloranylpropanoate
Wiley ID 1101796