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2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

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2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID 2dLQ8hfbHst
InChI InChI=1S/C17H14BrN5O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10H2,1H3,(H,19,24)
InChIKey VVLSDYDLYVGJMW-UHFFFAOYSA-N
Mol Weight 448.3 g/mol
Molecular Formula C17H14BrN5O3S
Exact Mass 447.000074 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsAjRexaCyr
Name 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
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/C17H14BrN5O3S/c1-22-16(11-5-7-12(18)8-6-11)20-21-17(22)27-10-15(24)19-13-3-2-4-14(9-13)23(25)26/h2-9H,10H2,1H3,(H,19,24)
InChIKey VVLSDYDLYVGJMW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6777
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/1266788; Labnumber: COL3411; UZI_ID: UZI-006779
Temperature 318 °C