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

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5-(4-bromophenyl)-3-chloro-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 9M23MyxLYMg
InChI InChI=1S/C21H17BrClF3N4OS/c1-32-15-5-3-2-4-13(15)28-20(31)18-17(23)19-27-14(11-6-8-12(22)9-7-11)10-16(21(24,25)26)30(19)29-18/h2-9,14,16,27H,10H2,1H3,(H,28,31)
InChIKey MGIKFIYXJONUSX-UHFFFAOYSA-N
Mol Weight 545.81 g/mol
Molecular Formula C21H17BrClF3N4OS
Exact Mass 543.994708 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KKBsSbhreNw
Name 5-(4-bromophenyl)-3-chloro-N-[2-(methylsulfanyl)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/C21H17BrClF3N4OS/c1-32-15-5-3-2-4-13(15)28-20(31)18-17(23)19-27-14(11-6-8-12(22)9-7-11)10-16(21(24,25)26)30(19)29-18/h2-9,14,16,27H,10H2,1H3,(H,28,31)
InChIKey MGIKFIYXJONUSX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12138
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/9100159; UBI_ID: UBI-012141
Temperature 308 °C