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2-(3,5-Dimethylbenzyl)malonic acid

View entire compound with spectra: 1 MS (GC)

2-(3,5-Dimethylbenzyl)malonic acid
SpectraBase Compound ID 1EV1hqsAK5x
InChI InChI=1S/C12H14O4/c1-7-3-8(2)5-9(4-7)6-10(11(13)14)12(15)16/h3-5,10H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey LSWREXILYPKLCY-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBD6YGExC4q
Name 2-(3,5-Dimethylbenzyl)malonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-3-8(2)5-9(4-7)6-10(11(13)14)12(15)16/h3-5,10H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey LSWREXILYPKLCY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702226j
Molecular Weight 222.240 g/mol
SMILES OC(C(C(=O)O)Cc1cc(C)cc(c1)C)=O
SPLASH splash10-00pi-2910000000-6ae3c7dedfe4357053df
Source of Spectrum A1-9-4659/SMS18-arb10
Wiley ID 1758774