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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 2R7c3s5iMpf
Name Phenethyl hexanoate
Source of Sample SAFC Cat.no. W322105
CAS Registry Number 6290-37-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 220.146329882 u
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
Number of Peaks 50
RI1 1643
RI2 1321
SMILES c1cccc(c1)CCOC(CCCCC)=O
SPLASH splash10-0udi-5900000000-376c5b566d73e3844c11
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Hexanoic acid, 2-phenylethyl ester
Wiley ID LM_FFNSC3_766