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2-Butyl-3-hydroxy-3-(phenylmethyl)-1-isoindolone
SpectraBase Compound ID 97oiGvp3gCS
InChI InChI=1S/C19H21NO2/c1-2-3-13-20-18(21)16-11-7-8-12-17(16)19(20,22)14-15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3
InChIKey CAUYUGGQHQPTDV-UHFFFAOYSA-N
Mol Weight 295.38 g/mol
Molecular Formula C19H21NO2
Exact Mass 295.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQTU363cfac
Name 2-Butyl-3-hydroxy-3-(phenylmethyl)-1-isoindolone
Alternate Name(s) 2-Butyl-3-oxidanyl-3-(phenylmethyl)isoindol-1-one 3-Benzyl-2-butyl-3-hydroxy-isoindolin-1-one 3-Benzyl-2-butyl-3-hydroxyisoindol-1-one
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Formula C19H21NO2
InChI InChI=1S/C19H21NO2/c1-2-3-13-20-18(21)16-11-7-8-12-17(16)19(20,22)14-15-9-5-4-6-10-15/h4-12,22H,2-3,13-14H2,1H3
InChIKey CAUYUGGQHQPTDV-UHFFFAOYSA-N
Molecular Weight 295.382 g/mol
SMILES OC1(N(C(=O)c2c1cccc2)CCCC)Cc1ccccc1
SPLASH splash10-0fc0-0090000000-29f9f5adb94bee29d231
Source of Spectrum Y-32-887-9
Wiley ID 1298422