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2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID FrMeMff3vdQ
InChI InChI=1S/C23H16BrF3N4O/c24-17-7-5-15(6-8-17)19-11-20(23(25,26)27)31-21(29-19)18(12-28-31)22(32)30-10-9-14-3-1-2-4-16(14)13-30/h1-8,11-12H,9-10,13H2
InChIKey SECDNTMKAIXVGP-UHFFFAOYSA-N
Mol Weight 501.31 g/mol
Molecular Formula C23H16BrF3N4O
Exact Mass 500.045959 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cn8r8pmaaAK
Name 2-{[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
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/C23H16BrF3N4O/c24-17-7-5-15(6-8-17)19-11-20(23(25,26)27)31-21(29-19)18(12-28-31)22(32)30-10-9-14-3-1-2-4-16(14)13-30/h1-8,11-12H,9-10,13H2
InChIKey SECDNTMKAIXVGP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9637
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/8093462; Labnumber: IDV-5013; UZI_ID: UZI-009639
Temperature 318 °C