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2-chloro-5-[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-tetraazol-1-yl]benzoic acid
SpectraBase Compound ID 8QNdCPrV3cm
InChI InChI=1S/C17H11ClF3N5O3S/c18-13-5-4-11(7-12(13)15(28)29)26-16(23-24-25-26)30-8-14(27)22-10-3-1-2-9(6-10)17(19,20)21/h1-7H,8H2,(H,22,27)(H,28,29)
InChIKey DSWKQBBBENKPLV-UHFFFAOYSA-N
Mol Weight 457.82 g/mol
Molecular Formula C17H11ClF3N5O3S
Exact Mass 457.022323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5uLHeEKkrh4
Name 2-chloro-5-[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-tetraazol-1-yl]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/C17H11ClF3N5O3S/c18-13-5-4-11(7-12(13)15(28)29)26-16(23-24-25-26)30-8-14(27)22-10-3-1-2-9(6-10)17(19,20)21/h1-7H,8H2,(H,22,27)(H,28,29)
InChIKey DSWKQBBBENKPLV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6376
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: NMR/11252345; Labnumber: LP-3701409; IOH_ID: IOH-006377