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5-(4-bromophenyl)-3-chloro-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID rd793Q92r7
InChI InChI=1S/C20H17BrClF3N4O/c21-13-7-5-12(6-8-13)14-11-15(20(23,24)25)29-18(26-14)16(22)17(27-29)19(30)28-9-3-1-2-4-10-28/h5-8,11H,1-4,9-10H2
InChIKey BCRNBXQKTYGNRY-UHFFFAOYSA-N
Mol Weight 501.74 g/mol
Molecular Formula C20H17BrClF3N4O
Exact Mass 500.022636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8aXg3qR61d0
Name 5-(4-bromophenyl)-3-chloro-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
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/C20H17BrClF3N4O/c21-13-7-5-12(6-8-13)14-11-15(20(23,24)25)29-18(26-14)16(22)17(27-29)19(30)28-9-3-1-2-4-10-28/h5-8,11H,1-4,9-10H2
InChIKey BCRNBXQKTYGNRY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16323
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/8100380; UBI_ID: UBI-016326
Temperature 308 °C