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3-[5-(ethoxycarbonyl)-3-ethyl-2-methyl-3H-benzimidazol-1-ium-1-yl]-1-propanesulfonate
SpectraBase Compound ID J8c6gc6FiLd
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
Mol Weight 354.42 g/mol
Molecular Formula C16H22N2O5S
Exact Mass 354.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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