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a-methylbenzyl alcohol, butyrate
SpectraBase Compound ID 6d5pGSgJG87
InChI InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey GGKADXREVJTZMF-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2juW3ZBgGYr
Name Benzyl butyrate
Source of Sample SAFC Cat.no. W268607
CAS Registry Number 3460-44-4
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 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey GGKADXREVJTZMF-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
Number of Peaks 50
RI1 1367
RI2 1045
RI3 1227
RI4 1185
SMILES c1cc(ccc1)C(OC(CCC)=O)C
SPLASH splash10-0kor-5900000000-8557931aef97ddd988db
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, 1-phenylethyl ester
Wiley ID LM_FFNSC3_551