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(E)-5-(1,3-dioxo-2-isoindolyl)-2-pentenenitrile
SpectraBase Compound ID CHXka89IcC0
InChI InChI=1S/C13H10N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h1-4,6-7H,5,9H2/b4-1+
InChIKey VJNBTDSNKMKLQZ-DAFODLJHSA-N
Mol Weight 226.23 g/mol
Molecular Formula C13H10N2O2
Exact Mass 226.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bXcyLZQ1ch
Name (E)-5-(1,3-dioxo-2-isoindolyl)-2-pentenenitrile
Alternate Name(s) (E)-5-(1,3-dioxoisoindol-2-yl)pent-2-enenitrile (E)-5-(1,3-dioxoisoindolin-2-yl)pent-2-enenitrile (E)-5-phthalimidopent-2-enenitrile (E)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]pent-2-enenitrile
CAS Registry Number 117903-84-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H10N2O2
InChI InChI=1S/C13H10N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h1-4,6-7H,5,9H2/b4-1+
InChIKey VJNBTDSNKMKLQZ-DAFODLJHSA-N
Molecular Weight 226.235 g/mol
SMILES C1(N(C(c2ccccc12)=O)CC\C=C\C#N)=O
SPLASH splash10-03di-0900000000-38afb7ab60e370b72c02
Source of Spectrum B-41-1206-3
Wiley ID 1227488