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benzylidenemalonic acid, dimethyl ester
SpectraBase Compound ID 5Vat6U9NM3t
InChI InChI=1S/C12H12O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey HPLVTKYRGZZXJF-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72HJ9w0qNJp
Name Propanedioic acid, (phenylmethylene)-, dimethyl ester
CAS Registry Number 6626-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey HPLVTKYRGZZXJF-UHFFFAOYSA-N
Molecular Weight 220.224 g/mol
SMILES C(C(C(=O)OC)=Cc1ccccc1)(=O)OC
SPLASH splash10-00di-0900000000-ed5e20407e5c2fbd93f6
Source of Spectrum JX-2015-6-8049
Synonyms 2-(Phenylmethylene)propanedioic acid dimethyl ester 2-Benzalmalonic acid dimethyl ester Dimethyl 2-benzylidenemalonate Dimethyl 2-(phenylmethylidene)propanedioate Dimethyl benzalmalonate Dimethyl 2-benzylidenepropanedioate Dimethyl benzylidenemalonate Malonic acid, benzylidene-, dimethyl ester
Wiley ID 1729810