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

*Links on SpectraBase are not permalinks.
6-methyl-2-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}nicotinonitrile
SpectraBase Compound ID Cl1bxUrluto
InChI InChI=1S/C17H16N4OS/c1-12-7-8-13(11-18)16(19-12)23-10-4-9-21-15-6-3-2-5-14(15)20-17(21)22/h2-3,5-8H,4,9-10H2,1H3,(H,20,22)
InChIKey RSFQABPBMULFMY-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C17H16N4OS
Exact Mass 324.104482 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 B1aDViCe6UJ
Name 6-methyl-2-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}nicotinonitrile
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/C17H16N4OS/c1-12-7-8-13(11-18)16(19-12)23-10-4-9-21-15-6-3-2-5-14(15)20-17(21)22/h2-3,5-8H,4,9-10H2,1H3,(H,20,22)
InChIKey RSFQABPBMULFMY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17787
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: D29984; Labnumber: Shel-1-002; SBI_ID: SBI-017790
Temperature 318 °C