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2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID GFjbMTnoses
InChI InChI=1S/C23H16ClF3N4O/c24-19-20(22(32)30-11-10-14-6-4-5-9-16(14)13-30)29-31-18(23(25,26)27)12-17(28-21(19)31)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2
InChIKey KDXQOIZQRQFYPN-UHFFFAOYSA-N
Mol Weight 456.86 g/mol
Molecular Formula C23H16ClF3N4O
Exact Mass 456.096473 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63xTThv4yCJ
Name 2-{[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.096473339 u
Formula C23H16ClF3N4O
InChI InChI=1S/C23H16ClF3N4O/c24-19-20(22(32)30-11-10-14-6-4-5-9-16(14)13-30)29-31-18(23(25,26)27)12-17(28-21(19)31)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2
InChIKey KDXQOIZQRQFYPN-UHFFFAOYSA-N
Molecular Weight 456.856 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3461
Solvent DMSO-d6
Source Vendor ID: NMR/12289345