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4-(2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol

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4-(2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 1TJxcV1wBVC
InChI InChI=1S/C16H15N3O2S/c1-20-12-8-9-14(21-2)13(10-12)19-15(17-18-16(19)22)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,22)
InChIKey DOUHAGYCXYRRMN-UHFFFAOYSA-N
Mol Weight 313.38 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48sLNNLgrJH
Name 4-(2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
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/C16H15N3O2S/c1-20-12-8-9-14(21-2)13(10-12)19-15(17-18-16(19)22)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,22)
InChIKey DOUHAGYCXYRRMN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18091
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: D31804; Labnumber: VGU-0022553; SBI_ID: SBI-018094
Synonyms 4-(2,5-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C