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3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID E9aE5vmymGK
InChI InChI=1S/C14H15F2N5O2S/c1-2-3-7-24-14-19-18-13(12(15)16)20(14)17-9-10-5-4-6-11(8-10)21(22)23/h4-6,8-9,12H,2-3,7H2,1H3/b17-9+
InChIKey ZXBNLNWXKJYKHK-RQZCQDPDSA-N
Mol Weight 355.36 g/mol
Molecular Formula C14H15F2N5O2S
Exact Mass 355.091452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dq5PqSjEkJY
Name 3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(3-nitrophenyl)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/C14H15F2N5O2S/c1-2-3-7-24-14-19-18-13(12(15)16)20(14)17-9-10-5-4-6-11(8-10)21(22)23/h4-6,8-9,12H,2-3,7H2,1H3/b17-9+
InChIKey ZXBNLNWXKJYKHK-RQZCQDPDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32257
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: 1844810; SBI_ID: SBI-032261
Synonyms N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-(3-nitrophenyl)methylidene]amine3-(butylsulfanyl)-5-(difluoromethyl)-N-[(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine
Temperature 318 °C