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

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ethyl 2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID 6dVUNVKsAVn
InChI InChI=1S/C25H23N3O3S/c1-4-31-25(30)22-21(18-12-10-16(2)11-13-18)15-32-23(22)26-14-20-17(3)27-28(24(20)29)19-8-6-5-7-9-19/h5-15,26H,4H2,1-3H3/b20-14+
InChIKey KPPSLOPPLQGBNL-XSFVSMFZSA-N
Mol Weight 445.54 g/mol
Molecular Formula C25H23N3O3S
Exact Mass 445.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9cH4sZ9LgR8
Name ethyl 2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)-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/C25H23N3O3S/c1-4-31-25(30)22-21(18-12-10-16(2)11-13-18)15-32-23(22)26-14-20-17(3)27-28(24(20)29)19-8-6-5-7-9-19/h5-15,26H,4H2,1-3H3/b20-14+
InChIKey KPPSLOPPLQGBNL-XSFVSMFZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2743
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: 114294; Labnumber: RRKR-2020; VK_ID: VK-002744
Synonyms ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate
Temperature 318 °C