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Phenethyl octanoate
SpectraBase Compound ID Gu9m4LTYCb9
InChI InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChIKey ASETYIALRXDVDF-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34FVfPtRcQP
Name Phenyl ethyl octanoate
CAS Registry Number 5457-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
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/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChIKey ASETYIALRXDVDF-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES c1c(cccc1)CCOC(=O)CCCCCCC
SPLASH splash10-0udi-5900000000-b92c9026e3b5be7441d7
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886863