John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LqaWOOmDz68 SpectraBase Spectrum ID=3zgbJbXlsB6

(accessed ).
Isobutyl 3-methylbenzoate
SpectraBase Compound ID LqaWOOmDz68
InChI InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKey DVLDXZFSLYUGHD-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 3zgbJbXlsB6
Name Isobutyl 3-methylbenzoate
Alternate Name(s) Benzoic acid,3-methyl-2-methylpropyl ester; Isobutyl-3-methyl benzoate
CAS Registry Number 6640-78-4
Classification Chemical
Copyright Copyright © 2021 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKey DVLDXZFSLYUGHD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
SPLASH splash10-014r-6900000000-af0e39992397761c40be
Source of Spectrum DigiLab GmbH (C) 2021
SpectraBase Batch ID 37NTmabYJyt
Technique GC/MS
Wiley ID DD2021_023729