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

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2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
SpectraBase Compound ID KrTZRVEJgVg
InChI InChI=1S/C15H12BrN5O3S2/c1-20-14(12-6-9(16)7-25-12)18-19-15(20)26-8-13(22)17-10-2-4-11(5-3-10)21(23)24/h2-7H,8H2,1H3,(H,17,22)
InChIKey CEVAJFVRVCRLHH-UHFFFAOYSA-N
Mol Weight 454.32 g/mol
Molecular Formula C15H12BrN5O3S2
Exact Mass 452.956495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5fpuVmK3itD
Name 2-{[5-(4-bromo-2-thienyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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/C15H12BrN5O3S2/c1-20-14(12-6-9(16)7-25-12)18-19-15(20)26-8-13(22)17-10-2-4-11(5-3-10)21(23)24/h2-7H,8H2,1H3,(H,17,22)
InChIKey CEVAJFVRVCRLHH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6881
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/1265292; Labnumber: COL3646; UZI_ID: UZI-006883
Temperature 318 °C