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4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetraazol-1-yl}benzoic acid
SpectraBase Compound ID 1mxM6DycaCg
InChI InChI=1S/C11H8N8O4S/c1-17-10(12-9(14-17)19(22)23)24-11-13-15-16-18(11)7-4-2-6(3-5-7)8(20)21/h2-5H,1H3,(H,20,21)
InChIKey FEWDUKSJGRPQCZ-UHFFFAOYSA-N
Mol Weight 348.3 g/mol
Molecular Formula C11H8N8O4S
Exact Mass 348.038922 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jk8bBM8aBJ2
Name 4-{5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)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/C11H8N8O4S/c1-17-10(12-9(14-17)19(22)23)24-11-13-15-16-18(11)7-4-2-6(3-5-7)8(20)21/h2-5H,1H3,(H,20,21)
InChIKey FEWDUKSJGRPQCZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22117
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: D58652; Labnumber: SPLUK-1003; SBI_ID: SBI-022121
Temperature 308 °C