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3-(difluoromethyl)-5-(methylsulfanyl)-N-{(E)-[5-(phenoxymethyl)-2-furyl]methylidene}-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 4Is3nPfdP8x
InChI InChI=1S/C16H14F2N4O2S/c1-25-16-21-20-15(14(17)18)22(16)19-9-12-7-8-13(24-12)10-23-11-5-3-2-4-6-11/h2-9,14H,10H2,1H3/b19-9+
InChIKey MQAFXTRRFSEDOW-DJKKODMXSA-N
Mol Weight 364.37 g/mol
Molecular Formula C16H14F2N4O2S
Exact Mass 364.080553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ej7g42K1Mvd
Name 3-(difluoromethyl)-5-(methylsulfanyl)-N-{(E)-[5-(phenoxymethyl)-2-furyl]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/C16H14F2N4O2S/c1-25-16-21-20-15(14(17)18)22(16)19-9-12-7-8-13(24-12)10-23-11-5-3-2-4-6-11/h2-9,14H,10H2,1H3/b19-9+
InChIKey MQAFXTRRFSEDOW-DJKKODMXSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31071
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: 1729047; SBI_ID: SBI-031075
Synonyms N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-N-{(E)-[5-(phenoxymethyl)-2-furyl]methylidene}amine3-(difluoromethyl)-5-(methylsulfanyl)-N-{[5-(phenoxymethyl)-2-furyl]methylidene}-4H-1,2,4-triazol-4-amine
Temperature 306 °C