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2-cyano-2-(1,3-dioxo-2-isoindolyl)acetic acid tert-butyl ester
SpectraBase Compound ID EdnCb5AAnws
InChI InChI=1S/C15H14N2O4/c1-15(2,3)21-14(20)11(8-16)17-12(18)9-6-4-5-7-10(9)13(17)19/h4-7,11H,1-3H3
InChIKey QDBSSWCFAWCVLK-UHFFFAOYSA-N
Mol Weight 286.29 g/mol
Molecular Formula C15H14N2O4
Exact Mass 286.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4X03nPxeK8U
Name 2-cyano-2-(1,3-dioxo-2-isoindolyl)acetic acid tert-butyl ester
CAS Registry Number 122123-55-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O4
InChI InChI=1S/C15H14N2O4/c1-15(2,3)21-14(20)11(8-16)17-12(18)9-6-4-5-7-10(9)13(17)19/h4-7,11H,1-3H3
InChIKey QDBSSWCFAWCVLK-UHFFFAOYSA-N
Molecular Weight 286.287 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C(OC(C)(C)C)=O)C#N)=O
SPLASH splash10-0a4i-9420000000-330222bedba072f0a5d7
Source of Spectrum F-46-5268-7
Synonyms 2-cyano-2-phthalimido-acetic acid tert-butyl ester tert-Butyl 2-cyano-2-(1,3-dioxoisoindol-2-yl)acetate tert-Butyl 2-cyano-2-(1,3-dioxoisoindolin-2-yl)acetate tert-Butyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-cyano-ethanoate
Wiley ID 1289697