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N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID Buh1gZyLP5J
InChI InChI=1S/C13H12F4N4OS/c1-2-23-13-20-19-11(10(14)15)21(13)18-7-8-3-5-9(6-4-8)22-12(16)17/h3-7,10,12H,2H2,1H3/b18-7+
InChIKey UFNAWVDWMXLFMZ-CNHKJKLMSA-N
Mol Weight 348.32 g/mol
Molecular Formula C13H12F4N4OS
Exact Mass 348.066795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1GGAC1aHSzT
Name N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
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/C13H12F4N4OS/c1-2-23-13-20-19-11(10(14)15)21(13)18-7-8-3-5-9(6-4-8)22-12(16)17/h3-7,10,12H,2H2,1H3/b18-7+
InChIKey UFNAWVDWMXLFMZ-CNHKJKLMSA-N
NMR Offset 17.9132
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31123
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: 1733863; SBI_ID: SBI-031127
Synonyms N-{(E)-[4-(difluoromethoxy)phenyl]methylidene}-N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]amineN-{[4-(difluoromethoxy)phenyl]methylidene}-3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
Temperature 303 °C