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ethyl 5-ethyl-2-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-thiophenecarboxylate

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ethyl 5-ethyl-2-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID LkdnunVrdGv
InChI InChI=1S/C21H23N3O3S/c1-5-16-11-17(21(26)27-6-2)19(28-16)22-12-18-14(4)23-24(20(18)25)15-9-7-13(3)8-10-15/h7-12,22H,5-6H2,1-4H3/b18-12+
InChIKey VAUDIEHNDDTBHO-LDADJPATSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XtOCm2m1bE
Name ethyl 5-ethyl-2-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-thiophenecarboxylate
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/C21H23N3O3S/c1-5-16-11-17(21(26)27-6-2)19(28-16)22-12-18-14(4)23-24(20(18)25)15-9-7-13(3)8-10-15/h7-12,22H,5-6H2,1-4H3/b18-12+
InChIKey VAUDIEHNDDTBHO-LDADJPATSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25607
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: C15106; Labnumber: RRYB-1193; SBI_ID: SBI-025611
Synonyms ethyl 5-ethyl-2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-thiophenecarboxylate
Temperature 306 °C