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2H-Isoindole-2-acetic acid, .alpha.-chloro-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID F6A1Tp0KBVr
InChI InChI=1S/C15H13ClN2O4/c1-14(2,3)22-13(21)15(16,8-17)18-11(19)9-6-4-5-7-10(9)12(18)20/h4-7H,1-3H3
InChIKey OBVITJIXYFZFMS-UHFFFAOYSA-N
Mol Weight 320.73 g/mol
Molecular Formula C15H13ClN2O4
Exact Mass 320.056385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfJB1EH1wdR
Name 2H-Isoindole-2-acetic acid, .alpha.-chloro-.alpha.-cyano-1,3-dihydro-1,3-dioxo-, 1,1-dimethylethyl ester, (.+-.)-
CAS Registry Number 130892-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN2O4
InChI InChI=1S/C15H13ClN2O4/c1-14(2,3)22-13(21)15(16,8-17)18-11(19)9-6-4-5-7-10(9)12(18)20/h4-7H,1-3H3
InChIKey OBVITJIXYFZFMS-UHFFFAOYSA-N
Molecular Weight 320.732 g/mol
SMILES C(N1C(c2ccccc2C1=O)=O)(C(OC(C)(C)C)=O)(C#N)Cl
SPLASH splash10-0a4i-9320000000-4102989c6365aabf64f6
Source of Spectrum F-46-5270-13
Synonyms t-Butyl 2-chloro-2-cyano2-phthaloyl-ethanoatimido-2 ethaneoate tert-Butyl chloro(cyano)(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Wiley ID 1319826