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2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID JdWSynaOLwe
InChI InChI=1S/C12H8N2O4/c1-18-12(17)9(6-13)14-10(15)7-4-2-3-5-8(7)11(14)16/h2-5,9H,1H3
InChIKey BKRPPENRNWKCKZ-UHFFFAOYSA-N
Mol Weight 244.21 g/mol
Molecular Formula C12H8N2O4
Exact Mass 244.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXIX95NlAZ2
Name 2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
Alternate Name(s) Methyl 2-cyano-2-(phthaloylamino)-ethanoate Methyl cyano(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CAS Registry Number 130892-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O4
InChI InChI=1S/C12H8N2O4/c1-18-12(17)9(6-13)14-10(15)7-4-2-3-5-8(7)11(14)16/h2-5,9H,1H3
InChIKey BKRPPENRNWKCKZ-UHFFFAOYSA-N
Molecular Weight 244.206 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C(=O)OC)C#N)=O
SPLASH splash10-0udr-2920000000-0cdca14e1620b4020a5f
Source of Spectrum F-46-5268-7
Wiley ID 1246743