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Benzoic acid, 2-[[(1-cyano-1,2-dimethoxy-2-oxoethyl)amino]carbonyl]-, methyl ester, (.+-.)-
SpectraBase Compound ID CeKFZjUUYrh
InChI InChI=1S/C14H14N2O6/c1-20-12(18)10-7-5-4-6-9(10)11(17)16-14(8-15,22-3)13(19)21-2/h4-7H,1-3H3,(H,16,17)
InChIKey QLJOPWWHAFNSGO-UHFFFAOYSA-N
Mol Weight 306.27 g/mol
Molecular Formula C14H14N2O6
Exact Mass 306.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8s5xsBAWt5X
Name Benzoic acid, 2-[[(1-cyano-1,2-dimethoxy-2-oxoethyl)amino]carbonyl]-, methyl ester, (.+-.)-
CAS Registry Number 130892-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O6
InChI InChI=1S/C14H14N2O6/c1-20-12(18)10-7-5-4-6-9(10)11(17)16-14(8-15,22-3)13(19)21-2/h4-7H,1-3H3,(H,16,17)
InChIKey QLJOPWWHAFNSGO-UHFFFAOYSA-N
Molecular Weight 306.274 g/mol
SMILES N(C(C(=O)OC)(C#N)OC)C(c1c(C(=O)OC)cccc1)=O
SPLASH splash10-03di-0910000000-f080980977154cb759b4
Source of Spectrum F-46-5271-18
Synonyms (S)-2-Cyano-2-methoxy-2-o-methoxycarbonylbenzamido methyl ethanoate Methyl 2-cyano-2-methoxy-2-(o-methoxycarbonylbenzamido)-ethanoate Methyl 2-{[(1-cyano-1,2-dimethoxy-2-oxoethyl)amino]carbonyl}benzoate
Wiley ID 1307789