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(2E)-3-(4-fluorophenyl)-N-({2-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]hydrazino}carbothioyl)-2-propenamide
SpectraBase Compound ID J9FMkGj9KQr
InChI InChI=1S/C21H17FN4O3S/c1-13-18(19(26-29-13)15-5-3-2-4-6-15)20(28)24-25-21(30)23-17(27)12-9-14-7-10-16(22)11-8-14/h2-12H,1H3,(H,24,28)(H2,23,25,27,30)/b12-9+
InChIKey DVXWGGPLJHGRQK-FMIVXFBMSA-N
Mol Weight 424.45 g/mol
Molecular Formula C21H17FN4O3S
Exact Mass 424.10054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7m7H71Dghrz
Name (2E)-3-(4-fluorophenyl)-N-({2-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]hydrazino}carbothioyl)-2-propenamide
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/C21H17FN4O3S/c1-13-18(19(26-29-13)15-5-3-2-4-6-15)20(28)24-25-21(30)23-17(27)12-9-14-7-10-16(22)11-8-14/h2-12H,1H3,(H,24,28)(H2,23,25,27,30)/b12-9+
InChIKey DVXWGGPLJHGRQK-FMIVXFBMSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2548
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: D03638; Labnumber: NCOBK-0321; SBI_ID: SBI-002550
Synonyms 3-(4-fluorophenyl)-N-({2-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]hydrazino}carbothioyl)-2-propenamide
Temperature 308 °C