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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID De0oxEhfrpp
InChI InChI=1S/C23H18ClF3N4O3S/c1-33-16-5-2-4-14(10-16)21-29-30-22(31(21)12-17-6-3-9-34-17)35-13-20(32)28-15-7-8-19(24)18(11-15)23(25,26)27/h2-11H,12-13H2,1H3,(H,28,32)
InChIKey WTGJQRIJCITMGV-UHFFFAOYSA-N
Mol Weight 522.93 g/mol
Molecular Formula C23H18ClF3N4O3S
Exact Mass 522.074024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G86KCwUQiNt
Name N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(2-furylmethyl)-5-(3-methoxyphenyl)-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/C23H18ClF3N4O3S/c1-33-16-5-2-4-14(10-16)21-29-30-22(31(21)12-17-6-3-9-34-17)35-13-20(32)28-15-7-8-19(24)18(11-15)23(25,26)27/h2-11H,12-13H2,1H3,(H,28,32)
InChIKey WTGJQRIJCITMGV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11073
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: E05758; Labnumber: GRES-09795; SBI_ID: SBI-011076
Temperature 318 °C