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4-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetraazol-1-yl]benzoic acid
SpectraBase Compound ID JrckAQHcgGB
InChI InChI=1S/C14H15N9O2S/c1-22(2)13-17-10(16-12(15)18-13)7-26-14-19-20-21-23(14)9-5-3-8(4-6-9)11(24)25/h3-6H,7H2,1-2H3,(H,24,25)(H2,15,16,17,18)
InChIKey FYDVYZAFKCVYIE-UHFFFAOYSA-N
Mol Weight 373.4 g/mol
Molecular Formula C14H15N9O2S
Exact Mass 373.106942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ekIlyLWYc4
Name 4-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}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/C14H15N9O2S/c1-22(2)13-17-10(16-12(15)18-13)7-26-14-19-20-21-23(14)9-5-3-8(4-6-9)11(24)25/h3-6H,7H2,1-2H3,(H,24,25)(H2,15,16,17,18)
InChIKey FYDVYZAFKCVYIE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22121
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: D58656; Labnumber: SPLUK-1007; SBI_ID: SBI-022125
Temperature 308 °C