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

*Links on SpectraBase are not permalinks.
3-(5-cyano-1-ethyl-2-methyl-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate
SpectraBase Compound ID 4tUvIqTFZIh
InChI InChI=1S/C14H17N3O3S/c1-3-16-11(2)17(7-4-8-21(18,19)20)14-9-12(10-15)5-6-13(14)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey BYSHIRLWRJNDLW-UHFFFAOYSA-N
Mol Weight 307.37 g/mol
Molecular Formula C14H17N3O3S
Exact Mass 307.099063 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 BbWkzPiswnG
Name 3-(5-cyano-1-ethyl-2-methyl-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.099062590 u
Formula C14H17N3O3S
InChI InChI=1S/C14H17N3O3S/c1-3-16-11(2)17(7-4-8-21(18,19)20)14-9-12(10-15)5-6-13(14)16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey BYSHIRLWRJNDLW-UHFFFAOYSA-N
Molecular Weight 307.368 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18021
Solvent DMSO-d6
Source Vendor ID: NMR/11270635; Lab Info: ABR; Lab Number: ABR-0000010