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N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
SpectraBase Compound ID 6antuYdfSWX
InChI InChI=1S/C16H16BrN5OS2/c1-8-12(17)13(22(2)21-8)14(23)19-16(24)20-15-10(7-18)9-5-3-4-6-11(9)25-15/h3-6H2,1-2H3,(H2,19,20,23,24)
InChIKey CQHUFJPTGNAYAM-UHFFFAOYSA-N
Mol Weight 438.36 g/mol
Molecular Formula C16H16BrN5OS2
Exact Mass 436.997966 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ELB4OqaG7Hp
Name N-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-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/C16H16BrN5OS2/c1-8-12(17)13(22(2)21-8)14(23)19-16(24)20-15-10(7-18)9-5-3-4-6-11(9)25-15/h3-6H2,1-2H3,(H2,19,20,23,24)
InChIKey CQHUFJPTGNAYAM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6955
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: 9685938; UBI_ID: UBI-006957
Temperature 308 °C