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

*Links on SpectraBase are not permalinks.

1,5-Bis(3-chlorophenyl)-1,5-di(1H-indol-3-yl)pentan-3-one

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

1,5-Bis(3-chlorophenyl)-1,5-di(1H-indol-3-yl)pentan-3-one
SpectraBase Compound ID 7lmJg5tNrnR
InChI InChI=1S/C33H26Cl2N2O/c34-23-9-5-7-21(15-23)28(30-19-36-32-13-3-1-11-26(30)32)17-25(38)18-29(22-8-6-10-24(35)16-22)31-20-37-33-14-4-2-12-27(31)33/h1-16,19-20,28-29,36-37H,17-18H2
InChIKey PYXHKHAJWYUZOA-UHFFFAOYSA-N
Mol Weight 537.5 g/mol
Molecular Formula C33H26Cl2N2O
Exact Mass 536.142219 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 Cat71DBBBnA
Name 1,5-bis(3-Chlorophenyl)-1,5-di(1H-indol-3-yl)pentan-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.142218864 u
Formula C33H26Cl2N2O
InChI InChI=1S/C33H26Cl2N2O/c34-23-9-5-7-21(15-23)28(30-19-36-32-13-3-1-11-26(30)32)17-25(38)18-29(22-8-6-10-24(35)16-22)31-20-37-33-14-4-2-12-27(31)33/h1-16,19-20,28-29,36-37H,17-18H2
InChIKey PYXHKHAJWYUZOA-UHFFFAOYSA-N
Molecular Weight 537.490 g/mol
SMILES C(CC(C1=CC(=CC=C1)Cl)C=1C2=C(NC1)C=CC=C2)(CC(C=1C=C(C=CC1)Cl)C1=CNC2=C1C=CC=C2)=O