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Isobutyl benzoate

View entire compound with spectra: 4 NMR, 12 FTIR, 1 Raman, and 18 MS (GC)

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 zKsrJc99pB
Name Benzoic acid, 2-methylpropyl ester
Alternate Name(s) 2-Methylpropyl benzoate benzoic acid isobutyl ester Isobutyl benzoate iso-Butyl benzoate benzoic acid 2-methylpropyl ester AI3-01267 BRN 2045961 EINECS 204-401-3 FEMA NO. 2185 NSC 6580
CAS Registry Number 120-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
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 CC(COC(=O)c1ccccc1)C
SPLASH splash10-0a6r-8900000000-28bb55f1aed532d813c9
Source of Spectrum QF-43-1418-0
Wiley ID 833119