For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-Isoindole-2-acetic acid, .alpha.-chloro-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID sRYNTNDHJ1
InChI InChI=1S/C12H7ClN2O4/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 UPJSSMLDSOYMBL-UHFFFAOYSA-N
Mol Weight 278.65 g/mol
Molecular Formula C12H7ClN2O4
Exact Mass 278.009434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LAavMcRcCcu
Name 2H-Isoindole-2-acetic acid, .alpha.-chloro-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, methyl ester, (.+-.)-
CAS Registry Number 130892-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClN2O4
InChI InChI=1S/C12H7ClN2O4/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 UPJSSMLDSOYMBL-UHFFFAOYSA-N
Molecular Weight 278.651 g/mol
SMILES C(N1C(c2ccccc2C1=O)=O)(C(=O)OC)(C#N)Cl
SPLASH splash10-0v0r-2930000000-b1c75a7e85f2331f64d2
Source of Spectrum F-46-5270-13
Synonyms Methyl 2-cyano-2-phthaloylamino-2-chloro-ethanoate Methyl chloro(cyano)(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Wiley ID 1281485