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3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
SpectraBase Compound ID FdVYSEYMsSG
InChI InChI=1S/C18H15BrN4O3S/c1-27-16-8-3-2-7-15(16)20-18(24)13-6-4-5-12(9-13)10-22-11-14(19)17(21-22)23(25)26/h2-9,11H,10H2,1H3,(H,20,24)
InChIKey KYLJHFJSJHMZLR-UHFFFAOYSA-N
Mol Weight 447.31 g/mol
Molecular Formula C18H15BrN4O3S
Exact Mass 446.004825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkATIkNyboF
Name 3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(methylsulfanyl)phenyl]benzamide
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/C18H15BrN4O3S/c1-27-16-8-3-2-7-15(16)20-18(24)13-6-4-5-12(9-13)10-22-11-14(19)17(21-22)23(25)26/h2-9,11H,10H2,1H3,(H,20,24)
InChIKey KYLJHFJSJHMZLR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3525
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/9159230; Labnumber: BAC_UAMK/012532; UZI_ID: UZI-003527
Temperature 308 °C