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4-benzyl-5-(5-methyl-3-isoxazolyl)-4H-1,2,4-triazole-3-thiol

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4-benzyl-5-(5-methyl-3-isoxazolyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID GNAMjqFk6z4
InChI InChI=1S/C13H12N4OS/c1-9-7-11(16-18-9)12-14-15-13(19)17(12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)
InChIKey FPGWBAWDHHGONL-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lZL6WnflXu
Name 4-benzyl-5-(5-methyl-3-isoxazolyl)-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/C13H12N4OS/c1-9-7-11(16-18-9)12-14-15-13(19)17(12)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)
InChIKey FPGWBAWDHHGONL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6371
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: UZI/1025554; Labnumber: COL1438; UZI_ID: UZI-006373
Synonyms 4-benzyl-5-(5-methyl-3-isoxazolyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C