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2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-.alpha.-methyl-1,3-dioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID CE40Nh9abBh
InChI InChI=1S/C13H10N2O4/c1-13(7-14,12(18)19-2)15-10(16)8-5-3-4-6-9(8)11(15)17/h3-6H,1-2H3
InChIKey FJNOUUWLUMRNIH-UHFFFAOYSA-N
Mol Weight 258.23 g/mol
Molecular Formula C13H10N2O4
Exact Mass 258.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIx2UWaqLCo
Name 2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-.alpha.-methyl-1,3-dioxo-, methyl ester, (.+-.)-
Alternate Name(s) Methyl 2-cyano-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate Methyl 2-cyano-2-phthaloyimino-propanoate
CAS Registry Number 130892-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c1-13(7-14,12(18)19-2)15-10(16)8-5-3-4-6-9(8)11(15)17/h3-6H,1-2H3
InChIKey FJNOUUWLUMRNIH-UHFFFAOYSA-N
Molecular Weight 258.233 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C(=O)OC)(C#N)C)=O
SPLASH splash10-00dj-1900000000-e82b9ba1a6e60d38ea11
Source of Spectrum F-46-5269-10
Wiley ID 1261509