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N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID EH8P1pEVWFv
InChI InChI=1S/C21H18F6N4OS/c1-3-31-18(13-6-4-5-12(2)7-13)29-30-19(31)33-11-17(32)28-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h4-10H,3,11H2,1-2H3,(H,28,32)
InChIKey USRPFTKVIQJBGM-UHFFFAOYSA-N
Mol Weight 488.45 g/mol
Molecular Formula C21H18F6N4OS
Exact Mass 488.110551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYmgqKi69Gz
Name N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-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/C21H18F6N4OS/c1-3-31-18(13-6-4-5-12(2)7-13)29-30-19(31)33-11-17(32)28-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h4-10H,3,11H2,1-2H3,(H,28,32)
InChIKey USRPFTKVIQJBGM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11112
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: E06103; Labnumber: GRES-16118; SBI_ID: SBI-011115
Temperature 306 °C