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Allyl hexanoate

View entire compound with spectra: 5 NMR, 11 FTIR, 1 Raman, and 18 MS (GC)

Allyl hexanoate
SpectraBase Compound ID CFKgienjd9C
InChI InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JmAI0TdCa
Name Hexanoic acid, 2-propenyl ester
CAS Registry Number 123-68-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
SMILES CCCCCC(=O)OCC=C
SPLASH splash10-0006-9000000000-939ce73456979ff36e01
Source of Spectrum LQ-1992-625-0
Synonyms Hexanoic acid, allyl ester 2-Propenyl hexanoate 2-Propenyl n-hexanoate Allocopen Allyl caproate Allyl hexanoate Allyl N-caproate Allyl n-hexanoate Allylester kyseliny kapronove Hexanoic acid prop-2-enyl ester Prop-2-enyl hexanoate AI3-02950 BRN 1761920 CCRIS 6549 EINECS 204-642-4 FEMA NO. 2032 NSC 20962
Wiley ID 1153624