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Isobutyl benzoate
SpectraBase Compound ID EQdoUsjtCi5
InChI InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey KYZHGEFMXZOSJN-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJZr2wzUF8N
Name Isobutyl benzoate
CAS Registry Number 120-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
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/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey KYZHGEFMXZOSJN-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES c1c(cccc1)C(OCC(C)C)=O
SPLASH splash10-0a4i-8900000000-69b74214d00a809ce0cb
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886503