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

*Links on SpectraBase are not permalinks.
2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodo-4(3H)-quinazolinone
SpectraBase Compound ID 2X5W9dsy6xZ
InChI InChI=1S/C31H20Cl2IN3O/c32-22-11-14-29(26(33)16-22)37-30(35-27-13-12-23(34)17-25(27)31(37)38)15-10-21-19-36(18-20-6-2-1-3-7-20)28-9-5-4-8-24(21)28/h1-17,19H,18H2/b15-10+
InChIKey JMJXGRPPXSXBTQ-XNTDXEJSSA-N
Mol Weight 648.33 g/mol
Molecular Formula C31H20Cl2IN3O
Exact Mass 647.002813 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID I44jDIrdQ7b
Name 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodo-4(3H)-quinazolinone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H20Cl2IN3O/c32-22-11-14-29(26(33)16-22)37-30(35-27-13-12-23(34)17-25(27)31(37)38)15-10-21-19-36(18-20-6-2-1-3-7-20)28-9-5-4-8-24(21)28/h1-17,19H,18H2/b15-10+
InChIKey JMJXGRPPXSXBTQ-XNTDXEJSSA-N
NMR Offset 17.9631
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_SBI_36227_15625
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C74367; Labnumber: AENIC7-978; SBI_ID: SBI-015628
Synonyms 2-[2-(1-benzyl-1H-indol-3-yl)ethenyl]-3-(2,4-dichlorophenyl)-6-iodo-4(3H)-quinazolinone
Temperature 313 °C