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N-[(4-bromo-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 ChmuWbMktrz
InChI InChI=1S/C17H18BrN5OS2/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 DHRHHMZAGYSXAF-UHFFFAOYSA-N
Mol Weight 452.39 g/mol
Molecular Formula C17H18BrN5OS2
Exact Mass 451.013616 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LwWqTTs5Wwg
Name N-[(4-bromo-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/C17H18BrN5OS2/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 DHRHHMZAGYSXAF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6957
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: 9686339; UBI_ID: UBI-006959
Temperature 308 °C