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1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-piperidinylidene]-, chloride

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1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-piperidinylidene]-, chloride
SpectraBase Compound ID 2MkAXG1JUXt
InChI InChI=1S/C20H31N7O2.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-6-3-7-13-26)14-8-11-22-15-9-4-5-10-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey LGJVDUDNKQXIRP-UHFFFAOYSA-N
Mol Weight 438.0 g/mol
Molecular Formula C20H32ClN7O2
Exact Mass 437.230601 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HgkQPK5D83c
Name 1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-N-[(2E)-piperidinylidene]-, 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 437.230600996 u
Formula C20H32ClN7O2
InChI InChI=1S/C20H31N7O2.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-6-3-7-13-26)14-8-11-22-15-9-4-5-10-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey LGJVDUDNKQXIRP-UHFFFAOYSA-N
Molecular Weight 437.976 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13475
Solvent DMSO-d6
Source Vendor ID: NMR/10260892; Lab Info: BEV; Lab Number: BEV-0000089