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piperazinium, 1-[4-[1,4-dihydro-6-methyl-1-(4-methylphenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]phenyl]-4-ethyl-, chloride

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piperazinium, 1-[4-[1,4-dihydro-6-methyl-1-(4-methylphenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]phenyl]-4-ethyl-, chloride
SpectraBase Compound ID LiYdMCBQgpe
InChI InChI=1S/C25H28N6O.ClH/c1-4-28-13-15-29(16-14-28)20-9-11-21(12-10-20)30-19(3)27-24-23(25(30)32)17-26-31(24)22-7-5-18(2)6-8-22;/h5-12,17H,4,13-16H2,1-3H3;1H
InChIKey PVJSPLYMTYFDFP-UHFFFAOYSA-N
Mol Weight 465.0 g/mol
Molecular Formula C25H29ClN6O
Exact Mass 464.209137 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Y1mGjn4Qnt
Name piperazinium, 1-[4-[1,4-dihydro-6-methyl-1-(4-methylphenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-5-yl]phenyl]-4-ethyl-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.209137277 u
Formula C25H29ClN6O
InChI InChI=1S/C25H28N6O.ClH/c1-4-28-13-15-29(16-14-28)20-9-11-21(12-10-20)30-19(3)27-24-23(25(30)32)17-26-31(24)22-7-5-18(2)6-8-22;/h5-12,17H,4,13-16H2,1-3H3;1H
InChIKey PVJSPLYMTYFDFP-UHFFFAOYSA-N
Molecular Weight 465.001 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5512
Solvent DMSO-d6
Source Vendor ID: NMR/13288856