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2-Phenylpropyl butyrate
SpectraBase Compound ID D3Xg2LLFUl5
InChI InChI=1S/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKey SKLXPNZDCBPHCS-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 HSuxpUNKwOv
Name Butyrate <2-phenylpropyl->
Source of Sample SAFC Cat.no. W289108
CAS Registry Number 80866-83-7
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 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-7-13(14)15-10-11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
InChIKey SKLXPNZDCBPHCS-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
Number of Peaks 50
RI1 1482
RI2 1160
SMILES C(CCC)(=O)OCC(C)c1ccccc1
SPLASH splash10-01bc-9800000000-8190d87280592cd4353c
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 Butanoic acid, 2-phenylpropyl ester
Wiley ID LM_FFNSC3_834