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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-5-propyl-, (4Z)-

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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-5-propyl-, (4Z)-
SpectraBase Compound ID FPo8sDUd3aJ
InChI InChI=1S/C21H26FN5OS/c1-4-5-18-20(21(28)27(26-18)17-8-6-16(22)7-9-17)15(3)23-10-11-29-12-19-14(2)24-13-25-19/h6-9,13,23H,4-5,10-12H2,1-3H3,(H,24,25)/b20-15-
InChIKey NTYMROCDOSFHBU-HKWRFOASSA-N
Mol Weight 415.53 g/mol
Molecular Formula C21H26FN5OS
Exact Mass 415.18421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kc0jyxOxo32
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[1-[[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]amino]ethylidene]-5-propyl-, (4Z)-
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/C21H26FN5OS/c1-4-5-18-20(21(28)27(26-18)17-8-6-16(22)7-9-17)15(3)23-10-11-29-12-19-14(2)24-13-25-19/h6-9,13,23H,4-5,10-12H2,1-3H3,(H,24,25)/b20-15-
InChIKey NTYMROCDOSFHBU-HKWRFOASSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_900
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: F06811; Labnumber: VGU-77237
Temperature 308 °C