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(E)-4-(1,3-dioxo-2-isoindolyl)-2-butenenitrile
SpectraBase Compound ID J9GPe0416aQ
InChI InChI=1S/C12H8N2O2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,8H2/b4-3+
InChIKey FGDHHSNLPFIAKD-ONEGZZNKSA-N
Mol Weight 212.21 g/mol
Molecular Formula C12H8N2O2
Exact Mass 212.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cUM9VqMya
Name (E)-4-(1,3-dioxo-2-isoindolyl)-2-butenenitrile
Alternate Name(s) (E)-4-(1,3-dioxoisoindol-2-yl)but-2-enenitrile (E)-4-(1,3-dioxoisoindolin-2-yl)but-2-enenitrile (E)-4-phthalimidobut-2-enenitrile (E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-enenitrile
CAS Registry Number 117903-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O2
InChI InChI=1S/C12H8N2O2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,8H2/b4-3+
InChIKey FGDHHSNLPFIAKD-ONEGZZNKSA-N
Molecular Weight 212.208 g/mol
SMILES C1(N(C(c2ccccc12)=O)C\C=C\C#N)=O
SPLASH splash10-000i-0930000000-c7c6aee059ae072144e2
Source of Spectrum B-41-1206-3
Wiley ID 1211372