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Benzeneacetic acid, 3-(methoxycarbonyl)-.alpha.,.alpha.-dimethyl-, methyl ester
SpectraBase Compound ID 2ets17szBwJ
InChI InChI=1S/C13H16O4/c1-13(2,12(15)17-4)10-7-5-6-9(8-10)11(14)16-3/h5-8H,1-4H3
InChIKey GQDCMIUDBNGGRP-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNoKfyr0EId
Name Benzeneacetic acid, 3-(methoxycarbonyl)-.alpha.,.alpha.-dimethyl-, methyl ester
CAS Registry Number 105235-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2,12(15)17-4)10-7-5-6-9(8-10)11(14)16-3/h5-8H,1-4H3
InChIKey GQDCMIUDBNGGRP-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(c1cc(C(=O)OC)ccc1)(C(=O)OC)(C)C
SPLASH splash10-004i-2900000000-439003885df694f8e7b2
Source of Spectrum B-39-313-0
Synonyms Methyl 2-(3'-methoxycarbonylphenyl)-2-methylpropionate Methyl 3-(2-methoxy-1,1-dimethyl-2-oxoethyl)benzoate 3-(1-Methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid methyl ester Methyl 3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoate Methyl 3-(2-methoxy-1,1-dimethyl-2-oxo-ethyl)benzoate Methyl 3-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)benzoate
Wiley ID 1238049