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2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID 40EJ45lyfAH
InChI InChI=1S/C23H18ClFN4O2S/c1-31-20-9-5-2-6-17(20)22-27-28-23(29(22)16-12-10-15(24)11-13-16)32-14-21(30)26-19-8-4-3-7-18(19)25/h2-13H,14H2,1H3,(H,26,30)
InChIKey KLUOUJFQSXDJAA-UHFFFAOYSA-N
Mol Weight 468.93 g/mol
Molecular Formula C23H18ClFN4O2S
Exact Mass 468.082303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Jo2Yla92Yz
Name 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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/C23H18ClFN4O2S/c1-31-20-9-5-2-6-17(20)22-27-28-23(29(22)16-12-10-15(24)11-13-16)32-14-21(30)26-19-8-4-3-7-18(19)25/h2-13H,14H2,1H3,(H,26,30)
InChIKey KLUOUJFQSXDJAA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11393
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: E06921; Labnumber: GRES-31835; SBI_ID: SBI-011396
Temperature 318 °C