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

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID D6dHA1ty9OL
InChI InChI=1S/C21H19F3N4O2S/c1-3-11-28-19(14-7-9-17(30-2)10-8-14)26-27-20(28)31-13-18(29)25-16-6-4-5-15(12-16)21(22,23)24/h3-10,12H,1,11,13H2,2H3,(H,25,29)
InChIKey RMTCMDTXVDOIPO-UHFFFAOYSA-N
Mol Weight 448.46 g/mol
Molecular Formula C21H19F3N4O2S
Exact Mass 448.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYv4mSaHyAd
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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/C21H19F3N4O2S/c1-3-11-28-19(14-7-9-17(30-2)10-8-14)26-27-20(28)31-13-18(29)25-16-6-4-5-15(12-16)21(22,23)24/h3-10,12H,1,11,13H2,2H3,(H,25,29)
InChIKey RMTCMDTXVDOIPO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14542
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: D98668; Labnumber: GRES-24588; SBI_ID: SBI-014545
Temperature 308 °C