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3-(1-Hydroxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-propionitrile
SpectraBase Compound ID CNhU48aALTB
InChI InChI=1S/C12H12N2O2/c1-14-11(15)9-5-2-3-6-10(9)12(14,16)7-4-8-13/h2-3,5-6,16H,4,7H2,1H3
InChIKey GVVZBMRDAVYUDG-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KGiROLhWCW
Name 3-(1-Hydroxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-14-11(15)9-5-2-3-6-10(9)12(14,16)7-4-8-13/h2-3,5-6,16H,4,7H2,1H3
InChIKey GVVZBMRDAVYUDG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7023357
Molecular Weight 216.240 g/mol
SMILES OC1(CCC#N)c2ccccc2C(N1C)=O
SPLASH splash10-03di-0900000000-4a6e98fcee872000fef8
Source of Spectrum A1-9-5445/SMS10-13b
Synonyms 3-(1-hydroxy-2-methyl-3-oxoisoindolin-1-yl)propanenitrile 3-(1-hydroxy-2-methyl-3-oxo-1-isoindolyl)propanenitrile 3-(1-hydroxy-2-methyl-3-oxoisoindol-1-yl)propanenitrile 3-(1-hydroxy-2-methyl-3-oxo-isoindolin-1-yl)propanenitrile 3-(2-Methyl-1-oxidanyl-3-oxidanylidene-isoindol-1-yl)propanenitrile
Wiley ID 1758835