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2-cyclohexyl-3-hydroxy-3-(phenylmethyl)-1-isoindolone
SpectraBase Compound ID KDO4kooNC9y
InChI InChI=1S/C21H23NO2/c23-20-18-13-7-8-14-19(18)21(24,15-16-9-3-1-4-10-16)22(20)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,24H,2,5-6,11-12,15H2
InChIKey SPHWHUUORWKFGS-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PhR3DxJLpt
Name 2-cyclohexyl-3-hydroxy-3-(phenylmethyl)-1-isoindolone
Alternate Name(s) Isoindol-1-one, 3-benzyl-2-cyclohexyl-3-hydroxy-2,3-dihydro- 2-cyclohexyl-3-oxidanyl-3-(phenylmethyl)isoindol-1-one 3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone 3-Benzyl-2-cyclohexyl-3-hydroxy-isoindolin-1-one 3-Benzyl-2-cyclohexyl-3-hydroxyisoindol-1-one
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Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c23-20-18-13-7-8-14-19(18)21(24,15-16-9-3-1-4-10-16)22(20)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,24H,2,5-6,11-12,15H2
InChIKey SPHWHUUORWKFGS-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES OC1(N(C(c2ccccc12)=O)C1CCCCC1)Cc1ccccc1
SPLASH splash10-0uk9-0069000000-0289b668767e057390f7
Source of Spectrum Y-32-888-13
Wiley ID 1321114