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4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)benzamide
SpectraBase Compound ID LQxroicAe9v
InChI InChI=1S/C16H13N5O4S/c17-15(25)9-1-4-11(5-2-9)21-16(18-19-20-21)26-8-14(24)10-3-6-12(22)13(23)7-10/h1-7,22-23H,8H2,(H2,17,25)
InChIKey IORNAGYAHIJMSI-UHFFFAOYSA-N
Mol Weight 371.37 g/mol
Molecular Formula C16H13N5O4S
Exact Mass 371.068825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8CsgR4hOCvr
Name 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetraazol-1-yl)benzamide
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/C16H13N5O4S/c17-15(25)9-1-4-11(5-2-9)21-16(18-19-20-21)26-8-14(24)10-3-6-12(22)13(23)7-10/h1-7,22-23H,8H2,(H2,17,25)
InChIKey IORNAGYAHIJMSI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22298
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: D58571; Labnumber: SPLUK-0841; SBI_ID: SBI-022302
Temperature 318 °C