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5-(4-bromophenyl)-3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

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5-(4-bromophenyl)-3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 8gdzUcSar4K
InChI InChI=1S/C21H18BrClF3N5O/c22-13-5-3-12(4-6-13)15-10-16(21(24,25)26)31-19(27-15)17(23)18(28-31)20(32)30-9-8-29-7-1-2-14(29)11-30/h3-6,10,14H,1-2,7-9,11H2
InChIKey UMLUYGSPMDBPEQ-UHFFFAOYSA-N
Mol Weight 528.76 g/mol
Molecular Formula C21H18BrClF3N5O
Exact Mass 527.033535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 43S3vE4CPCj
Name 5-(4-bromophenyl)-3-chloro-2-(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/C21H18BrClF3N5O/c22-13-5-3-12(4-6-13)15-10-16(21(24,25)26)31-19(27-15)17(23)18(28-31)20(32)30-9-8-29-7-1-2-14(29)11-30/h3-6,10,14H,1-2,7-9,11H2
InChIKey UMLUYGSPMDBPEQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9950
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/9067976; UBI_ID: UBI-009953
Temperature 308 °C