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2-(2-cyclohexyl-2-hydroxy-ethyl)isoindoline-1,3-dione
SpectraBase Compound ID HdYjp1JFpPl
InChI InChI=1S/C16H19NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h4-5,8-9,11,14,18H,1-3,6-7,10H2
InChIKey XYSOSLVMCYWGDF-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2gZqXaz9xD
Name 2-(2-cyclohexyl-2-hydroxy-ethyl)isoindoline-1,3-dione
Alternate Name(s) 2-(2-cyclohexyl-2-hydroxy-ethyl)isoindoline-1,3-quinone 2-(2-cyclohexyl-2-hydroxyethyl)isoindole-1,3-dione 2-(2-cyclohexyl-2-oxidanyl-ethyl)isoindole-1,3-dione
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Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h4-5,8-9,11,14,18H,1-3,6-7,10H2
InChIKey XYSOSLVMCYWGDF-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES OC(CN1C(c2ccccc2C1=O)=O)C1CCCCC1
SPLASH splash10-0w29-0590000000-2c8ebf1c767f6dad484f
Source of Spectrum J-58-598-28
Wiley ID 1277333