For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
SpectraBase Compound ID D8DXFiqQVOS
InChI InChI=1S/C17H18BrN5OS2/c1-3-23-8-12(18)14(22-23)15(24)20-17(25)21-16-11(7-19)10-5-4-9(2)6-13(10)26-16/h8-9H,3-6H2,1-2H3,(H2,20,21,24,25)
InChIKey NPVHXVYBPMGBCY-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4otzWDfbEE1
Name N-[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N'-(3-cyano-6-methyl-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/C17H18BrN5OS2/c1-3-23-8-12(18)14(22-23)15(24)20-17(25)21-16-11(7-19)10-5-4-9(2)6-13(10)26-16/h8-9H,3-6H2,1-2H3,(H2,20,21,24,25)
InChIKey NPVHXVYBPMGBCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8690
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: 1001801; UBI_ID: UBI-008693
Temperature 318 °C