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4-bromo-N-(hexahydro-1H-azepin-1-ylcarbothioyl)-1-methyl-1H-pyrazole-5-carboxamide

View entire compound with spectra: 1 NMR

4-bromo-N-(hexahydro-1H-azepin-1-ylcarbothioyl)-1-methyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 9lsDmeZ34b6
InChI InChI=1S/C12H17BrN4OS/c1-16-10(9(13)8-14-16)11(18)15-12(19)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,18,19)
InChIKey SVTREKJDDVKTSD-UHFFFAOYSA-N
Mol Weight 345.26 g/mol
Molecular Formula C12H17BrN4OS
Exact Mass 344.030645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3cCuC0ItFsh
Name 4-bromo-N-(hexahydro-1H-azepin-1-ylcarbothioyl)-1-methyl-1H-pyrazole-5-carboxamide
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/C12H17BrN4OS/c1-16-10(9(13)8-14-16)11(18)15-12(19)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3,(H,15,18,19)
InChIKey SVTREKJDDVKTSD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_895
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: UZI/6216826; UBI_ID: UBI-000896
Temperature 313 °C