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4-[3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2-benzenediol
SpectraBase Compound ID 2B1T025McuH
InChI InChI=1S/C16H11ClN4O2S/c17-11-3-1-2-10(6-11)15-18-19-16-21(15)20-12(8-24-16)9-4-5-13(22)14(23)7-9/h1-7,22-23H,8H2
InChIKey LDBNEOKPVJNYSF-UHFFFAOYSA-N
Mol Weight 358.8 g/mol
Molecular Formula C16H11ClN4O2S
Exact Mass 358.029124 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H1uZwsq4mtA
Name 4-[3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2-benzenediol
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/C16H11ClN4O2S/c17-11-3-1-2-10(6-11)15-18-19-16-21(15)20-12(8-24-16)9-4-5-13(22)14(23)7-9/h1-7,22-23H,8H2
InChIKey LDBNEOKPVJNYSF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19732
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: D14373; Labnumber: UDSG-01014; SBI_ID: SBI-019736
Temperature 318 °C