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N-[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methyl-2-oxo-2H-chromen-7-yl)thiourea

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N-[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methyl-2-oxo-2H-chromen-7-yl)thiourea
SpectraBase Compound ID I1U3c8TCftu
InChI InChI=1S/C21H15Cl3N4O2S/c1-11-6-19(29)30-18-8-14(4-5-15(11)18)25-21(31)26-20-17(24)10-28(27-20)9-12-2-3-13(22)7-16(12)23/h2-8,10H,9H2,1H3,(H2,25,26,27,31)
InChIKey MXHPTFWNYOFNQL-UHFFFAOYSA-N
Mol Weight 493.8 g/mol
Molecular Formula C21H15Cl3N4O2S
Exact Mass 491.99813 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2VyCNCpjcY
Name N-[4-chloro-1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]-N'-(4-methyl-2-oxo-2H-chromen-7-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/C21H15Cl3N4O2S/c1-11-6-19(29)30-18-8-14(4-5-15(11)18)25-21(31)26-20-17(24)10-28(27-20)9-12-2-3-13(22)7-16(12)23/h2-8,10H,9H2,1H3,(H2,25,26,27,31)
InChIKey MXHPTFWNYOFNQL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30075
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: 1636263; SBI_ID: SBI-030079
Temperature 318 °C