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2-Benzoylaminomalonic acid, dimethyl ester
SpectraBase Compound ID B8bVnFLrWoC
InChI InChI=1S/C12H13NO5/c1-17-11(15)9(12(16)18-2)13-10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14)
InChIKey VWUHJJGWTWNYGP-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LClgNWEqka7
Name 2-Benzoylaminomalonic acid, dimethyl ester
Alternate Name(s) 2-Benzamidomalonic acid dimethyl ester 2-Benzamidopropanedioic acid dimethyl ester Dimethyl 2-(benzoylamino)malonate Dimethyl 2-benzamidopropanedioate
CAS Registry Number 53872-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-17-11(15)9(12(16)18-2)13-10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14)
InChIKey VWUHJJGWTWNYGP-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES N(C(c1ccccc1)=O)C(C(=O)OC)C(=O)OC
SPLASH splash10-0a6r-8900000000-6af67488ccfa9a3ae1cc
Wiley ID 1480475