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2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID LcE1rXIpMY6
InChI InChI=1S/C18H18BrN5O3S2/c1-3-14-13(19)9-15(29-14)17-21-22-18(23(17)4-2)28-10-16(25)20-11-6-5-7-12(8-11)24(26)27/h5-9H,3-4,10H2,1-2H3,(H,20,25)
InChIKey FGSGJGOKMVVQLO-UHFFFAOYSA-N
Mol Weight 496.4 g/mol
Molecular Formula C18H18BrN5O3S2
Exact Mass 495.003445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HnCIXwyIES
Name 2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-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/C18H18BrN5O3S2/c1-3-14-13(19)9-15(29-14)17-21-22-18(23(17)4-2)28-10-16(25)20-11-6-5-7-12(8-11)24(26)27/h5-9H,3-4,10H2,1-2H3,(H,20,25)
InChIKey FGSGJGOKMVVQLO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6782
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/1266501; Labnumber: COL3417; UZI_ID: UZI-006784
Temperature 318 °C