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2-chloro-5-({[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid
SpectraBase Compound ID FCTk4saAd1T
InChI InChI=1S/C17H14ClN3O4S/c1-25-10-3-5-13-14(7-10)21-17(20-13)26-8-15(22)19-9-2-4-12(18)11(6-9)16(23)24/h2-7H,8H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey WJERGNOMODNDAB-UHFFFAOYSA-N
Mol Weight 391.83 g/mol
Molecular Formula C17H14ClN3O4S
Exact Mass 391.039355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G8uKcRhNnfL
Name 2-chloro-5-({[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid
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/C17H14ClN3O4S/c1-25-10-3-5-13-14(7-10)21-17(20-13)26-8-15(22)19-9-2-4-12(18)11(6-9)16(23)24/h2-7H,8H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey WJERGNOMODNDAB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13951
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: UZI/9056117; UBI_ID: UBI-013954
Temperature 308 °C