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5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 9ty6oCcvlTV
InChI InChI=1S/C21H14BrClF6N4O/c22-12-6-4-10(5-7-12)14-9-15(21(27,28)29)33-18(31-14)16(23)17(32-33)19(34)30-13-3-1-2-11(8-13)20(24,25)26/h1-8,14-15,31H,9H2,(H,30,34)
InChIKey DAVKOHOXQJPBIX-UHFFFAOYSA-N
Mol Weight 567.72 g/mol
Molecular Formula C21H14BrClF6N4O
Exact Mass 565.994371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBX6XG3jml5
Name 5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-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/C21H14BrClF6N4O/c22-12-6-4-10(5-7-12)14-9-15(21(27,28)29)33-18(31-14)16(23)17(32-33)19(34)30-13-3-1-2-11(8-13)20(24,25)26/h1-8,14-15,31H,9H2,(H,30,34)
InChIKey DAVKOHOXQJPBIX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12735
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/9125018; UBI_ID: UBI-012738
Temperature 313 °C