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N-(4-chlorobenzyl)-2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID AdVeKWe3oZL
InChI InChI=1S/C17H15Br2ClN4OS2/c1-2-24-16(13-7-12(18)15(19)27-13)22-23-17(24)26-9-14(25)21-8-10-3-5-11(20)6-4-10/h3-7H,2,8-9H2,1H3,(H,21,25)
InChIKey NNNJZYLODIALRM-UHFFFAOYSA-N
Mol Weight 550.72 g/mol
Molecular Formula C17H15Br2ClN4OS2
Exact Mass 547.874257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kZIpfg6AVW
Name N-(4-chlorobenzyl)-2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C17H15Br2ClN4OS2/c1-2-24-16(13-7-12(18)15(19)27-13)22-23-17(24)26-9-14(25)21-8-10-3-5-11(20)6-4-10/h3-7H,2,8-9H2,1H3,(H,21,25)
InChIKey NNNJZYLODIALRM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6836
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/1267456; Labnumber: COL3568; UZI_ID: UZI-006838
Temperature 308 °C