SpectraBase Spectrum ID |
6wktNiiVWc9 |
Name |
3-[5-(ethoxycarbonyl)-3-ethyl-2-methyl-3H-benzimidazol-1-ium-1-yl]-1-propanesulfonate |
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/C16H22N2O5S/c1-4-17-12(3)18(9-6-10-24(20,21)22)14-8-7-13(11-15(14)17)16(19)23-5-2/h7-8,11H,4-6,9-10H2,1-3H3 |
InChIKey |
VHIXRFXIDVOUEZ-UHFFFAOYSA-N |
NMR Offset |
14.9921 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_394 |
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: /VSVE61613; UBI_ID: UBI-000395 |
Temperature |
313 °C |