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

*Links on SpectraBase are not permalinks.
2-([(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl)-5-nitro-1H-benzimidazole
SpectraBase Compound ID JBkZvHFWqU4
InChI InChI=1S/C14H13N5O2S/c1-8-5-9(2)16-14(15-8)22-7-13-17-11-4-3-10(19(20)21)6-12(11)18-13/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey VOLMITBBTHYMNC-UHFFFAOYSA-N
Mol Weight 315.35 g/mol
Molecular Formula C14H13N5O2S
Exact Mass 315.078996 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 89ZjMHJvcNm
Name 1H-benzimidazole, 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.078995851 u
Formula C14H13N5O2S
InChI InChI=1S/C14H13N5O2S/c1-8-5-9(2)16-14(15-8)22-7-13-17-11-4-3-10(19(20)21)6-12(11)18-13/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey VOLMITBBTHYMNC-UHFFFAOYSA-N
Molecular Weight 315.351 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6436
Solvent DMSO-d6
Source Vendor ID: NMR/9312032; Lab Info: JSA; Lab Number: JSA-0000031