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2-(3-Methylbenzyl)malonic acid

View entire compound with spectra: 1 MS (GC)

2-(3-Methylbenzyl)malonic acid
SpectraBase Compound ID 980Th10sY0z
InChI InChI=1S/C11H12O4/c1-7-3-2-4-8(5-7)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey XVZRMTQMSRECHB-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5FMhLHtvRB
Name 2-(3-Methylbenzyl)malonic acid
Alternate Name(s) 2-(m-tolylmethyl)propanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-7-3-2-4-8(5-7)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey XVZRMTQMSRECHB-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(C(C(=O)O)Cc1cc(ccc1)C)=O
SPLASH splash10-0a4i-2900000000-8f4717922fd5bf0c99e1
Source of Spectrum KC-0-2621-0
Wiley ID 828961