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2-(Phthalimidomethyl)butyronitrile
SpectraBase Compound ID 2cbgoUHr8Pm
InChI InChI=1S/C13H12N2O2/c1-2-9(7-14)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,2,8H2,1H3
InChIKey PNPIIYUXMLLSTG-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vgqqtBYS2E
Name 2-(Phthalimidomethyl)butyronitrile
CAS Registry Number 120539-96-0
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c1-2-9(7-14)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9H,2,8H2,1H3
InChIKey PNPIIYUXMLLSTG-UHFFFAOYSA-N
Molecular Weight 228.251 g/mol
SMILES C1(N(C(c2ccccc12)=O)CC(C#N)CC)=O
SPLASH splash10-03di-0910000000-82c14edf4337091014cb
Source of Spectrum B-41-1207-5
Synonyms 2-[(1,3-dioxo-2-isoindolyl)methyl]butanenitrile 2-[(1,3-dioxoisoindol-2-yl)methyl]butanenitrile 2-[(1,3-dioxoisoindolin-2-yl)methyl]butanenitrile 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]butanenitrile
Wiley ID 1229676