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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)

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SpectraBase Spectrum ID B2YGW13Iceu
Name Benzyl hexanoate
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 C(=O)(OCc1ccccc1)CCCCC
SPLASH splash10-0006-9200000000-3b27fe613669726a6eca
Source of Spectrum W5-0-0-0
Synonyms (phenylmethyl) hexanoate Benzyl caproate Benzyl n-hexanoate Hexanoic acid (phenylmethyl) ester Hexanoic acid benzyl ester AI3-06077 EINECS 230-068-9
Wiley ID 1204619