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4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol

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4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HK1gmQWJbJY
InChI InChI=1S/C11H10BrN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
InChIKey IXKYFOJFVVHCED-UHFFFAOYSA-N
Mol Weight 296.19 g/mol
Molecular Formula C11H10BrN3S
Exact Mass 294.977882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID v17XLIMtVM
Name 4-allyl-5-(3-bromophenyl)-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/C11H10BrN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
InChIKey IXKYFOJFVVHCED-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_1846
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: NMR/8231220; Labnumber: LP-2180417; IOH_ID: IOH-001847
Synonyms 4-allyl-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 297 °C