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

*Links on SpectraBase are not permalinks.

Benzyl hexanoate

View entire compound with spectra: 3 MS (GC)

Benzyl hexanoate
SpectraBase Compound ID Fd9eM2gzDdK
InChI InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
InChIKey HRSXWUSONDBHSP-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 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 7WGfkZh40Uq
Name Benzyl hexanoate
Alternate Name(s) (phenylmethyl) hexanoate Benzyl caproate Benzyl n-hexanoate Hexanoic acid (phenylmethyl) ester Hexanoic acid benzyl ester AI3-06077 EINECS 230-068-9
CAS Registry Number 6938-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
InChIKey HRSXWUSONDBHSP-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES c1ccc(cc1)COC(CCCCC)=O
SPLASH splash10-0006-9200000000-e7fa357b35c55585882f
Source of Spectrum LQ-1992-1186-0
Wiley ID 1204698