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

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3-(4-bromophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
SpectraBase Compound ID 9i1Ajak7PVr
InChI InChI=1S/C9H8BrN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
InChIKey NMXXEXISMVUVDO-UHFFFAOYSA-N
Mol Weight 270.15 g/mol
Molecular Formula C9H8BrN3S
Exact Mass 268.962231 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8fMgUd7A4d
Name 3-(4-bromophenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
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/C9H8BrN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)
InChIKey NMXXEXISMVUVDO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_641
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: ZI/8023759; Labnumber: LP-3101342; IOH_ID: IOH-000642
Synonyms 3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl methyl sulfide
Temperature 303 °C