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4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SpectraBase Compound ID 5jqZJNIf1AS
InChI InChI=1S/C22H18BrN5O3S/c1-13-3-6-17(9-14(13)2)19-12-32-22(24-19)25-21(29)16-7-4-15(5-8-16)10-27-11-18(23)20(26-27)28(30)31/h3-9,11-12H,10H2,1-2H3,(H,24,25,29)
InChIKey UBWCDICZONBVOW-UHFFFAOYSA-N
Mol Weight 512.38 g/mol
Molecular Formula C22H18BrN5O3S
Exact Mass 511.031374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FxPkZXZTLUq
Name 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]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/C22H18BrN5O3S/c1-13-3-6-17(9-14(13)2)19-12-32-22(24-19)25-21(29)16-7-4-15(5-8-16)10-27-11-18(23)20(26-27)28(30)31/h3-9,11-12H,10H2,1-2H3,(H,24,25,29)
InChIKey UBWCDICZONBVOW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3710
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/8104877; UBI_ID: UBI-003711
Temperature 318 °C