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4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SpectraBase Compound ID iWttEsEJJL
InChI InChI=1S/C18H12BrF3N4O3/c19-15-10-25(24-16(15)26(28)29)9-11-4-6-12(7-5-11)17(27)23-14-3-1-2-13(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,27)
InChIKey RSBLKEKZSNGRJI-UHFFFAOYSA-N
Mol Weight 469.22 g/mol
Molecular Formula C18H12BrF3N4O3
Exact Mass 468.004488 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ywwfwWKFvz
Name 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)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/C18H12BrF3N4O3/c19-15-10-25(24-16(15)26(28)29)9-11-4-6-12(7-5-11)17(27)23-14-3-1-2-13(8-14)18(20,21)22/h1-8,10H,9H2,(H,23,27)
InChIKey RSBLKEKZSNGRJI-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4384
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/8117853; UBI_ID: UBI-004385
Temperature 318 °C