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N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(4-nitrophenyl)thiourea
SpectraBase Compound ID 3mmUWU3oYWA
InChI InChI=1S/C13H12ClN5O3S/c1-7-10(14)11(18(2)17-7)12(20)16-13(23)15-8-3-5-9(6-4-8)19(21)22/h3-6H,1-2H3,(H2,15,16,20,23)
InChIKey UKPVEHDSFDPUMM-UHFFFAOYSA-N
Mol Weight 353.78 g/mol
Molecular Formula C13H12ClN5O3S
Exact Mass 353.034938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9l6ZlrvvRfo
Name N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(4-nitrophenyl)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/C13H12ClN5O3S/c1-7-10(14)11(18(2)17-7)12(20)16-13(23)15-8-3-5-9(6-4-8)19(21)22/h3-6H,1-2H3,(H2,15,16,20,23)
InChIKey UKPVEHDSFDPUMM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7252
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: 9685999; UBI_ID: UBI-007255
Temperature 308 °C