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

*Links on SpectraBase are not permalinks.
1H-Isoindol-1-one, 2,3,3a,4-tetrahydro-4-phenyl-2-(phenylmethyl)-, cis-
SpectraBase Compound ID Ai3hIaHCUHK
InChI InChI=1S/C21H19NO/c23-21-19-13-7-12-18(17-10-5-2-6-11-17)20(19)15-22(21)14-16-8-3-1-4-9-16/h1-13,18,20H,14-15H2/t18-,20-/m0/s1
InChIKey XNQUKKFAKPJIRQ-ICSRJNTNSA-N
Mol Weight 301.39 g/mol
Molecular Formula C21H19NO
Exact Mass 301.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JZGnrqaa81n
Name 1H-Isoindol-1-one, 2,3,3a,4-tetrahydro-4-phenyl-2-(phenylmethyl)-, cis-
CAS Registry Number 107733-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO
InChI InChI=1S/C21H19NO/c23-21-19-13-7-12-18(17-10-5-2-6-11-17)20(19)15-22(21)14-16-8-3-1-4-9-16/h1-13,18,20H,14-15H2/t18-,20-/m0/s1
InChIKey XNQUKKFAKPJIRQ-ICSRJNTNSA-N
Molecular Weight 301.389 g/mol
SMILES C1(N(C[C@]2([C@@](C=CC=C12)(c1ccccc1)[H])[H])Cc1ccccc1)=O
SPLASH splash10-0006-9501000000-bc99c66c9291dd728731
Source of Spectrum AJ-59-1359-5
Synonyms (3aS,4R)-2-benzyl-4-phenyl-2,3,3a,4-tetrahydro-1H-isoindol-1-one 3a,4-dihydro-1-oxo-4-phenyl-2-benzylisoindoline
Wiley ID 1304090