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2-(3-Methylbenzyl)malonic acid dimethyl ester
SpectraBase Compound ID Jc0eUmW9sMY
InChI InChI=1S/C13H16O4/c1-9-5-4-6-10(7-9)8-11(12(14)16-2)13(15)17-3/h4-7,11H,8H2,1-3H3
InChIKey HVYKVOFRQWULKY-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 XdSTD9YbQ
Name 2-(3-Methylbenzyl)malonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9-5-4-6-10(7-9)8-11(12(14)16-2)13(15)17-3/h4-7,11H,8H2,1-3H3
InChIKey HVYKVOFRQWULKY-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C(C(=O)OC)Cc1cc(ccc1)C)(=O)OC
SPLASH splash10-004j-1920000000-39e1fd705760aabf64c0
Source of Spectrum KC-0-2621-0
Synonyms 2-[(3-methylphenyl)methyl]propanedioic acid dimethyl ester Dimethyl 2-(m-tolylmethyl)propanedioate Dimethyl 2-[(3-methylphenyl)methyl]propanedioate
Wiley ID 828962