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

*Links on SpectraBase are not permalinks.
3-pyridinecarboxamide, 5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-methyl-N,4-diphenyl-
SpectraBase Compound ID LWJkqDzSNHf
InChI InChI=1S/C28H23IN4O2S/c1-18-25(27(35)33-21-10-6-3-7-11-21)26(19-8-4-2-5-9-19)23(16-30)28(31-18)36-17-24(34)32-22-14-12-20(29)13-15-22/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey GAEZBYFJZYNSQP-UHFFFAOYSA-N
Mol Weight 606.48 g/mol
Molecular Formula C28H23IN4O2S
Exact Mass 606.058642 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 uYyrfLkdrT
Name 3-pyridinecarboxamide, 5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-methyl-N,4-diphenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.058642169 u
Formula C28H23IN4O2S
InChI InChI=1S/C28H23IN4O2S/c1-18-25(27(35)33-21-10-6-3-7-11-21)26(19-8-4-2-5-9-19)23(16-30)28(31-18)36-17-24(34)32-22-14-12-20(29)13-15-22/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey GAEZBYFJZYNSQP-UHFFFAOYSA-N
Molecular Weight 606.482 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10529
Solvent DMSO-d6
Source Vendor ID: NMR/10251804; Lab Info: KR; Lab Number: KR-KV00172