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2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
SpectraBase Compound ID FRFQlyv779P
InChI InChI=1S/C18H18Br2N4O2S2/c1-3-24-17(14-9-13(19)16(20)28-14)22-23-18(24)27-10-15(25)21-11-5-7-12(8-6-11)26-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,25)
InChIKey YYCIJXZXORHBII-UHFFFAOYSA-N
Mol Weight 546.3 g/mol
Molecular Formula C18H18Br2N4O2S2
Exact Mass 543.923794 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1smMIHG6KSv
Name 2-{[5-(4,5-dibromo-2-thienyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)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/C18H18Br2N4O2S2/c1-3-24-17(14-9-13(19)16(20)28-14)22-23-18(24)27-10-15(25)21-11-5-7-12(8-6-11)26-4-2/h5-9H,3-4,10H2,1-2H3,(H,21,25)
InChIKey YYCIJXZXORHBII-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6712
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/1266802; Labnumber: COL3290; UZI_ID: UZI-006714
Temperature 318 °C