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2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-3-nitrophenyl)acetamide
SpectraBase Compound ID CZ3Kt5XT1S2
InChI InChI=1S/C18H17BrClN5O3S2/c1-3-14-11(19)8-15(30-14)17-22-23-18(24(17)4-2)29-9-16(26)21-10-5-6-12(20)13(7-10)25(27)28/h5-8H,3-4,9H2,1-2H3,(H,21,26)
InChIKey XSIWNUJXZHQQBB-UHFFFAOYSA-N
Mol Weight 530.84 g/mol
Molecular Formula C18H17BrClN5O3S2
Exact Mass 528.964472 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OZ8RitAQ6y
Name 2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-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/C18H17BrClN5O3S2/c1-3-14-11(19)8-15(30-14)17-22-23-18(24(17)4-2)29-9-16(26)21-10-5-6-12(20)13(7-10)25(27)28/h5-8H,3-4,9H2,1-2H3,(H,21,26)
InChIKey XSIWNUJXZHQQBB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6699
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/1265955; Labnumber: COL3261; UZI_ID: UZI-006701
Temperature 318 °C