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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 LxvSnUzS4qH
Name 2-Phenylethyl hexanoate
CAS Registry Number 6290-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
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 c1ccc(cc1)CCOC(CCCCC)=O
SPLASH splash10-0udi-7900000000-9b221666e07cdd435c20
Source of Spectrum LQ-1992-1539-0
Synonyms 2-Phenethyl hexanoate 2-Phenylethyl caproate Hexanoic acid phenethyl ester Hexanoic acid, 2-phenylethyl ester Phenethyl hexanoate Phenylethyl caproate Phenylethyl n-hexanoate
Wiley ID 1220177