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2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-1,3-dioxo-.alpha.-2-propynyl-, methyl ester, (.+-.)-
SpectraBase Compound ID A8jtS7HrA58
InChI InChI=1S/C15H10N2O4/c1-3-8-15(9-16,14(20)21-2)17-12(18)10-6-4-5-7-11(10)13(17)19/h1,4-7H,8H2,2H3
InChIKey CWMWFNMDGHJFPA-UHFFFAOYSA-N
Mol Weight 282.25 g/mol
Molecular Formula C15H10N2O4
Exact Mass 282.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4TdZ13CQXJ
Name 2H-Isoindole-2-acetic acid, .alpha.-cyano-1,3-dihydro-1,3-dioxo-.alpha.-2-propynyl-, methyl ester, (.+-.)-
Alternate Name(s) Methyl 2-cyano-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-pentynoate Methyl 2-cyano-2-phthalamino-4-pentynoate
CAS Registry Number 130892-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10N2O4
InChI InChI=1S/C15H10N2O4/c1-3-8-15(9-16,14(20)21-2)17-12(18)10-6-4-5-7-11(10)13(17)19/h1,4-7H,8H2,2H3
InChIKey CWMWFNMDGHJFPA-UHFFFAOYSA-N
Molecular Weight 282.255 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C(=O)OC)(C#N)CC#C)=O
SPLASH splash10-0umr-3970000000-ab8b57ee20046189b328
Source of Spectrum F-46-5269-12
Wiley ID 1285722