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N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)thiourea
SpectraBase Compound ID J6YWOQIcGAO
InChI InChI=1S/C17H18ClN5OS2/c1-9-13(18)14(23(2)22-9)15(24)20-17(25)21-16-11(8-19)10-6-4-3-5-7-12(10)26-16/h3-7H2,1-2H3,(H2,20,21,24,25)
InChIKey HBPMZJFNPYAVHE-UHFFFAOYSA-N
Mol Weight 407.94 g/mol
Molecular Formula C17H18ClN5OS2
Exact Mass 407.06413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ED3a4bfwU56
Name N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-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/C17H18ClN5OS2/c1-9-13(18)14(23(2)22-9)15(24)20-17(25)21-16-11(8-19)10-6-4-3-5-7-12(10)26-16/h3-7H2,1-2H3,(H2,20,21,24,25)
InChIKey HBPMZJFNPYAVHE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4531
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: 9682241; UBI_ID: UBI-004532
Temperature 308 °C