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1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(4-methylcyclohexyl)-3-phenyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(4-methylcyclohexyl)-3-phenyl-
SpectraBase Compound ID IVtlZkCBInR
InChI InChI=1S/C21H23NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-10,15,17,24H,11-14H2,1H3
InChIKey SEVDNXBPKCCPTF-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbMNWNhWUe2
Name 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(4-methylcyclohexyl)-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.172878983 u
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-15-11-13-17(14-12-15)22-20(23)18-9-5-6-10-19(18)21(22,24)16-7-3-2-4-8-16/h2-10,15,17,24H,11-14H2,1H3
InChIKey SEVDNXBPKCCPTF-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES C1=CC=CC2=C1C(N(C2(O)C=1C=CC=CC1)C1CCC(CC1)C)=O