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1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, chloride

View entire compound with spectra: 1 NMR

1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, chloride
SpectraBase Compound ID AbmclrozzAd
InChI InChI=1S/C20H31N7O3.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey HCQNZCHSJGDONX-UHFFFAOYSA-N
Mol Weight 454.0 g/mol
Molecular Formula C20H32ClN7O3
Exact Mass 453.225516 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4N4cQCmrP23
Name 1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-, 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 453.225515615 u
Formula C20H32ClN7O3
InChI InChI=1S/C20H31N7O3.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey HCQNZCHSJGDONX-UHFFFAOYSA-N
Molecular Weight 453.975 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13753
Solvent DMSO-d6
Source Vendor ID: NMR/10260904; Lab Info: BEV; Lab Number: BEV-0000101