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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 6WkkNyvYUTp
Name .alpha.-Methyl benzyl butyrate
CAS Registry Number 3460-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
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/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
SMILES c1c(cccc1)C(OC(CCC)=O)C
SPLASH splash10-0pdi-6900000000-83f9a7d4572b5c471b8c
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Methyl benzyl butyrate<.alpha.->
Wiley ID 1886691