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2H-Isoindole-2-acetic acid, .alpha.-bromo-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID GzwX8aGaChL
InChI InChI=1S/C12H7BrN2O4/c1-19-11(18)12(13,6-14)15-9(16)7-4-2-3-5-8(7)10(15)17/h2-5H,1H3
InChIKey JVLQZUSIPZVXEO-UHFFFAOYSA-N
Mol Weight 323.1 g/mol
Molecular Formula C12H7BrN2O4
Exact Mass 321.95892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9aNA1xWcTv
Name 2H-Isoindole-2-acetic acid, .alpha.-bromo-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
CAS Registry Number 130892-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7BrN2O4
InChI InChI=1S/C12H7BrN2O4/c1-19-11(18)12(13,6-14)15-9(16)7-4-2-3-5-8(7)10(15)17/h2-5H,1H3
InChIKey JVLQZUSIPZVXEO-UHFFFAOYSA-N
Molecular Weight 323.102 g/mol
SMILES C(N1C(c2ccccc2C1=O)=O)(C(=O)OC)(C#N)Br
SPLASH splash10-0ufu-2940000000-b4fc302e9b0f5ad41e11
Source of Spectrum F-46-5270-14
Synonyms Methyl 2-bromo-2-cyano-2-phthalimido-ethanoate Methyl bromo(cyano)(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Wiley ID 1321262