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Heptanoic acid butyl ester

View entire compound with spectra: 4 NMR, 5 FTIR, and 12 MS (GC)

Heptanoic acid butyl ester
SpectraBase Compound ID EhOnhkJ4iBp
InChI InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZgAR5dTLJM
Name Butyl heptanoate
CAS Registry Number 5454-28-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES CCCCCCC(=O)OCCCC
SPLASH splash10-0btc-9200000000-3e44163d8bda933304d4
Source of Spectrum LQ-1992-1230-0
Synonyms Butyl heptoate Butyl heptylate enanthic acid butyl ester Heptanoic acid butyl ester n-Butyl n-heptanoate AI3-30738 EINECS 226-707-6 FEMA NO. 2199 NSC 23048
Wiley ID 1183084