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ethyl 4-[(4Z)-5-oxo-4-(2-thienylmethylene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
SpectraBase Compound ID 4dkBQQNAwDk
InChI InChI=1S/C18H13F3N2O3S/c1-2-26-17(25)11-5-7-12(8-6-11)23-16(24)14(10-13-4-3-9-27-13)15(22-23)18(19,20)21/h3-10H,2H2,1H3/b14-10-
InChIKey TXJGCNFEUFROKU-UVTDQMKNSA-N
Mol Weight 394.37 g/mol
Molecular Formula C18H13F3N2O3S
Exact Mass 394.059898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GL21uX7AW1v
Name ethyl 4-[(4Z)-5-oxo-4-(2-thienylmethylene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
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/C18H13F3N2O3S/c1-2-26-17(25)11-5-7-12(8-6-11)23-16(24)14(10-13-4-3-9-27-13)15(22-23)18(19,20)21/h3-10H,2H2,1H3/b14-10-
InChIKey TXJGCNFEUFROKU-UVTDQMKNSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29919
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: 1417409; SBI_ID: SBI-029923
Synonyms ethyl 4-[5-oxo-4-(2-thienylmethylene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Temperature 315 °C