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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]thiourea
SpectraBase Compound ID 8KZX5RZbQUb
InChI InChI=1S/C17H17IN6O2S/c1-10-13(16(26)24(23(10)3)11-7-5-4-6-8-11)20-17(27)21-15(25)14-12(18)9-19-22(14)2/h4-9H,1-3H3,(H2,20,21,25,27)
InChIKey NOFKPVFUVRGRCD-UHFFFAOYSA-N
Mol Weight 496.33 g/mol
Molecular Formula C17H17IN6O2S
Exact Mass 496.01784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtmQPgulhI6
Name N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[(4-iodo-1-methyl-1H-pyrazol-5-yl)carbonyl]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/C17H17IN6O2S/c1-10-13(16(26)24(23(10)3)11-7-5-4-6-8-11)20-17(27)21-15(25)14-12(18)9-19-22(14)2/h4-9H,1-3H3,(H2,20,21,25,27)
InChIKey NOFKPVFUVRGRCD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1635
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: UZI/1007878; UBI_ID: UBI-001636
Temperature 318 °C