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N-(4-chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea

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N-(4-chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
SpectraBase Compound ID FD5r1fsBWRd
InChI InChI=1S/C19H17ClN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)
InChIKey CTXIVQGCXFTTEO-UHFFFAOYSA-N
Mol Weight 400.88 g/mol
Molecular Formula C19H17ClN4O2S
Exact Mass 400.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2si3VfW7bZb
Name N-(4-chlorobenzoyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
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/C19H17ClN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)
InChIKey CTXIVQGCXFTTEO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9030
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: 1000899; UBI_ID: UBI-009033
Temperature 313 °C