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3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(2-fluorophenyl)methylidene]-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 7EWgdn4HHm0
InChI InChI=1S/C14H15F3N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-6-4-5-7-11(10)15/h4-7,9,12H,2-3,8H2,1H3/b18-9+
InChIKey IRCFVYMGEVIYIQ-GIJQJNRQSA-N
Mol Weight 328.36 g/mol
Molecular Formula C14H15F3N4S
Exact Mass 328.096952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID MD5xbhTA8i
Name 3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(2-fluorophenyl)methylidene]-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/C14H15F3N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-6-4-5-7-11(10)15/h4-7,9,12H,2-3,8H2,1H3/b18-9+
InChIKey IRCFVYMGEVIYIQ-GIJQJNRQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32227
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: 1844768; SBI_ID: SBI-032231
Synonyms N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-(2-fluorophenyl)methylidene]amine3-(butylsulfanyl)-5-(difluoromethyl)-N-[(2-fluorophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Temperature 318 °C