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hexanoic acid, phenethyl ester
SpectraBase Compound ID DZ1sUqs72bH
InChI InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChIKey BUYNWUMUDHPPDS-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31JAtjHYGCr
Name Phenyl ethyl hexanoate
CAS Registry Number 6290-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChIKey BUYNWUMUDHPPDS-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES c1c(cccc1)CCOC(=O)CCCCC
SPLASH splash10-0udi-7900000000-eed980cdebdc5a232020
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886861