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5-(4-bromophenyl)-3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 9ygm5fNHU7U
InChI InChI=1S/C21H19BrF3N5O/c22-14-5-3-13(4-6-14)17-10-18(21(23,24)25)30-19(27-17)16(11-26-30)20(31)29-9-8-28-7-1-2-15(28)12-29/h3-6,10-11,15H,1-2,7-9,12H2
InChIKey KYJVEVYPMJPTRN-UHFFFAOYSA-N
Mol Weight 494.32 g/mol
Molecular Formula C21H19BrF3N5O
Exact Mass 493.072508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfCEeL9FAFs
Name 5-(4-bromophenyl)-3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-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/C21H19BrF3N5O/c22-14-5-3-13(4-6-14)17-10-18(21(23,24)25)30-19(27-17)16(11-26-30)20(31)29-9-8-28-7-1-2-15(28)12-29/h3-6,10-11,15H,1-2,7-9,12H2
InChIKey KYJVEVYPMJPTRN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9939
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/9067870; UBI_ID: UBI-009942
Temperature 308 °C