For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Hydroxy-2-(1-phenylethyl)-3-(3-phenylpropyl)isoindolin-1-one

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

3-Hydroxy-2-(1-phenylethyl)-3-(3-phenylpropyl)isoindolin-1-one
SpectraBase Compound ID JRsGbifTLWR
InChI InChI=1S/C25H25NO2/c1-19(21-14-6-3-7-15-21)26-24(27)22-16-8-9-17-23(22)25(26,28)18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17,19,28H,10,13,18H2,1H3
InChIKey CRIBGKYNRCUCHA-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C25H25NO2
Exact Mass 371.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4E4jxRSeDVd
Name 3-Hydroxy-2-(1-phenylethyl)-3-(3-phenylpropyl)isoindolin-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.188529047 u
Formula C25H25NO2
InChI InChI=1S/C25H25NO2/c1-19(21-14-6-3-7-15-21)26-24(27)22-16-8-9-17-23(22)25(26,28)18-10-13-20-11-4-2-5-12-20/h2-9,11-12,14-17,19,28H,10,13,18H2,1H3
InChIKey CRIBGKYNRCUCHA-UHFFFAOYSA-N
Molecular Weight 371.480 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)C(C1=CC=CC=C1)C)(O)CCCC=1C=CC=CC1