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

*Links on SpectraBase are not permalinks.

(E)-4-Benzylidene-3-methyl-1,2-diphenyl-4,5,6,7-tetrahydro-2H-isoindole

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

(E)-4-Benzylidene-3-methyl-1,2-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
SpectraBase Compound ID LWyKyAx8wiE
InChI InChI=1S/C28H25N/c1-21-27-24(20-22-12-5-2-6-13-22)16-11-19-26(27)28(23-14-7-3-8-15-23)29(21)25-17-9-4-10-18-25/h2-10,12-15,17-18,20H,11,16,19H2,1H3/b24-20+
InChIKey VXRZMNBCMNPUGN-HIXSDJFHSA-N
Mol Weight 375.52 g/mol
Molecular Formula C28H25N
Exact Mass 375.1987 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 LMcZwE8pI0z
Name (E)-4-Benzylidene-3-methyl-1,2-diphenyl-4,5,6,7-tetrahydro-2H-isoindole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.198699809 u
Formula C28H25N
InChI InChI=1S/C28H25N/c1-21-27-24(20-22-12-5-2-6-13-22)16-11-19-26(27)28(23-14-7-3-8-15-23)29(21)25-17-9-4-10-18-25/h2-10,12-15,17-18,20H,11,16,19H2,1H3/b24-20+
InChIKey VXRZMNBCMNPUGN-HIXSDJFHSA-N
Molecular Weight 375.515 g/mol
SMILES C=1(N(C(=C2\C(CCCC12)=C/C=1C=CC=CC1)C)C=1C=CC=CC1)C1=CC=CC=C1