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

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1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-N-[(2E)-pyrrolidinylidene]-, chloride
SpectraBase Compound ID FXHd7lYswIy
InChI InChI=1S/C18H27N7O3.ClH/c1-22-15-14(16(26)23(2)18(22)27)25(8-4-7-20-13-5-3-6-19-13)17(21-15)24-9-11-28-12-10-24;/h3-12H2,1-2H3,(H,19,20);1H
InChIKey MISGETBKDVGRLD-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C18H28ClN7O3
Exact Mass 425.194215 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 23MJKIsYJeM
Name 1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-N-[(2E)-pyrrolidinylidene]-, 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 425.194215487 u
Formula C18H28ClN7O3
InChI InChI=1S/C18H27N7O3.ClH/c1-22-15-14(16(26)23(2)18(22)27)25(8-4-7-20-13-5-3-6-19-13)17(21-15)24-9-11-28-12-10-24;/h3-12H2,1-2H3,(H,19,20);1H
InChIKey MISGETBKDVGRLD-UHFFFAOYSA-N
Molecular Weight 425.921 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13775
Solvent DMSO-d6
Source Vendor ID: NMR/10260905; Lab Info: BEV; Lab Number: BEV-0000102