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2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 1i5aKGrnq3B
InChI InChI=1S/C20H19F3N4O2S/c1-3-27-18(13-6-4-9-16(10-13)29-2)25-26-19(27)30-12-17(28)24-15-8-5-7-14(11-15)20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKey QXEVVCIOGYZCMV-UHFFFAOYSA-N
Mol Weight 436.45 g/mol
Molecular Formula C20H19F3N4O2S
Exact Mass 436.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2iR9rNn4rjC
Name 2-{[4-ethyl-5-(3-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/C20H19F3N4O2S/c1-3-27-18(13-6-4-9-16(10-13)29-2)25-26-19(27)30-12-17(28)24-15-8-5-7-14(11-15)20(21,22)23/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKey QXEVVCIOGYZCMV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11225
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: E06508; Labnumber: GRES-23752; SBI_ID: SBI-011228
Temperature 315 °C