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2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)acetamide
SpectraBase Compound ID BFUgsYC2sfQ
InChI InChI=1S/C18H16BrCl3N4OS2/c1-3-14-9(19)5-15(29-14)17-24-25-18(26(17)4-2)28-8-16(27)23-13-7-11(21)10(20)6-12(13)22/h5-7H,3-4,8H2,1-2H3,(H,23,27)
InChIKey KIOUTWPPDGKLDW-UHFFFAOYSA-N
Mol Weight 554.74 g/mol
Molecular Formula C18H16BrCl3N4OS2
Exact Mass 551.90145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHrt5BUp0BL
Name 2-{[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,5-trichlorophenyl)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/C18H16BrCl3N4OS2/c1-3-14-9(19)5-15(29-14)17-24-25-18(26(17)4-2)28-8-16(27)23-13-7-11(21)10(20)6-12(13)22/h5-7H,3-4,8H2,1-2H3,(H,23,27)
InChIKey KIOUTWPPDGKLDW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6663
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/1266447; Labnumber: COL3178; UZI_ID: UZI-006665
Temperature 318 °C