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3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-bromophenyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID BpOoWrgEKU2
InChI InChI=1S/C16H13BrN6S/c17-11-5-3-4-10(8-11)15-21-22-16(23(15)18)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9,18H2,(H,19,20)
InChIKey RXXASQSJZYCOAG-UHFFFAOYSA-N
Mol Weight 401.29 g/mol
Molecular Formula C16H13BrN6S
Exact Mass 400.010579 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BMwGEeauIKV
Name 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-bromophenyl)-4H-1,2,4-triazol-4-amine
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/C16H13BrN6S/c17-11-5-3-4-10(8-11)15-21-22-16(23(15)18)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9,18H2,(H,19,20)
InChIKey RXXASQSJZYCOAG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4151
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: 120962; Labnumber: RRLE-0579; VK_ID: VK-004152
Synonyms 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-bromophenyl)-4H-1,2,4-triazol-4-ylamine
Temperature 308 °C