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

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5-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID BTqcbgOkvHv
InChI InChI=1S/C21H14BrClF6N4O/c22-12-4-1-10(2-5-12)14-8-17(21(27,28)29)33-18(30-14)9-16(32-33)19(34)31-15-7-11(20(24,25)26)3-6-13(15)23/h1-7,9,14,17,30H,8H2,(H,31,34)
InChIKey JCQQEMGKQBIDJV-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 JRVFXBOUAGs
Name 5-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-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/c22-12-4-1-10(2-5-12)14-8-17(21(27,28)29)33-18(30-14)9-16(32-33)19(34)31-15-7-11(20(24,25)26)3-6-13(15)23/h1-7,9,14,17,30H,8H2,(H,31,34)
InChIKey JCQQEMGKQBIDJV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12414
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/9121032; UBI_ID: UBI-012417
Temperature 308 °C