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2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-tribromophenyl)acetamide
SpectraBase Compound ID 8L5nPR3rEoY
InChI InChI=1S/C22H17Br3N4O2S/c1-13-4-2-5-14(8-13)21-27-28-22(29(21)11-16-6-3-7-31-16)32-12-19(30)26-20-17(24)9-15(23)10-18(20)25/h2-10H,11-12H2,1H3,(H,26,30)
InChIKey BBKWSGVHVAEDJQ-UHFFFAOYSA-N
Mol Weight 641.18 g/mol
Molecular Formula C22H17Br3N4O2S
Exact Mass 637.862236 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpCA44Xy9Jf
Name 2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-tribromophenyl)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/C22H17Br3N4O2S/c1-13-4-2-5-14(8-13)21-27-28-22(29(21)11-16-6-3-7-31-16)32-12-19(30)26-20-17(24)9-15(23)10-18(20)25/h2-10H,11-12H2,1H3,(H,26,30)
InChIKey BBKWSGVHVAEDJQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11704
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: E08622; Labnumber: GRES-37278; SBI_ID: SBI-011707
Temperature 308 °C