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piperidinium, 4-[3-[[(3-chloro-4-methoxyphenyl)amino]carbonyl]-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-, chloride
SpectraBase Compound ID MAsFRRLjiq
InChI InChI=1S/C19H20ClN5O3.ClH/c1-28-16-3-2-12(8-14(16)20)23-19(27)13-10-22-25-17(26)9-15(24-18(13)25)11-4-6-21-7-5-11;/h2-3,8-11,21,26H,4-7H2,1H3,(H,23,27);1H
InChIKey MJRUXVMIYSDYRF-UHFFFAOYSA-N
Mol Weight 438.32 g/mol
Molecular Formula C19H21Cl2N5O3
Exact Mass 437.102145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hu2gsXGgqXK
Name piperidinium, 4-[3-[[(3-chloro-4-methoxyphenyl)amino]carbonyl]-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-, 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 437.102144953 u
Formula C19H21Cl2N5O3
InChI InChI=1S/C19H20ClN5O3.ClH/c1-28-16-3-2-12(8-14(16)20)23-19(27)13-10-22-25-17(26)9-15(24-18(13)25)11-4-6-21-7-5-11;/h2-3,8-11,21,26H,4-7H2,1H3,(H,23,27);1H
InChIKey MJRUXVMIYSDYRF-UHFFFAOYSA-N
Molecular Weight 438.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2788
Solvent DMSO-d6
Source Vendor ID: NMR/12688938