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(1-methyl-4-oxo-butyl) benzoate
SpectraBase Compound ID 1nU0BuQdM5T
InChI InChI=1S/C12H14O3/c1-10(6-5-9-13)15-12(14)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3
InChIKey SXLSVEHLFQBLTK-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXCGv9w1EU2
Name (1-methyl-4-oxo-butyl) benzoate
CAS Registry Number 87050-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-10(6-5-9-13)15-12(14)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3
InChIKey SXLSVEHLFQBLTK-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C(OC(CCC=O)C)(=O)c1ccccc1
SPLASH splash10-0a6r-7900000000-ca71896cb567d489b1a1
Source of Spectrum J-50-3853-14
Synonyms 5-Oxidanylidenepentan-2-yl benzoate 5-Oxopentan-2-yl benzoate benzoic acid (4-keto-1-methyl-butyl) ester benzoic acid 5-oxopentan-2-yl ester
Wiley ID 1204427