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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID DeHBTBq6UUa
InChI InChI=1S/C20H19FN4O2S/c1-3-11-25-19(14-5-4-6-17(12-14)27-2)23-24-20(25)28-13-18(26)22-16-9-7-15(21)8-10-16/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey WEUFNLMEWNBFPF-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C20H19FN4O2S
Exact Mass 398.121275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AkSUnJ75G7h
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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/C20H19FN4O2S/c1-3-11-25-19(14-5-4-6-17(12-14)27-2)23-24-20(25)28-13-18(26)22-16-9-7-15(21)8-10-16/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey WEUFNLMEWNBFPF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11088
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: E05791; Labnumber: GRES-10431; SBI_ID: SBI-011091
Temperature 318 °C