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5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide

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5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID DbMXq2DTImS
InChI InChI=1S/C16H18BrN5OS/c1-10-15(17)11(2)21(20-10)9-8-14-18-19-16(24)22(14)12-6-4-5-7-13(12)23-3/h4-7H,8-9H2,1-3H3,(H,19,24)
InChIKey VCTJKFKVZDECBI-UHFFFAOYSA-N
Mol Weight 408.32 g/mol
Molecular Formula C16H18BrN5OS
Exact Mass 407.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ey2omIkYwMU
Name 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C16H18BrN5OS/c1-10-15(17)11(2)21(20-10)9-8-14-18-19-16(24)22(14)12-6-4-5-7-13(12)23-3/h4-7H,8-9H2,1-3H3,(H,19,24)
InChIKey VCTJKFKVZDECBI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11310
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/1024697; Labnumber: NIV0959; UZI_ID: UZI-011312
Synonyms 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C