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

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1H-purine-7-propanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride
SpectraBase Compound ID EAy3JqMiiHc
InChI InChI=1S/C18H29N7O2.ClH/c1-21(2)13-19-9-8-12-25-14-15(22(3)18(27)23(4)16(14)26)20-17(25)24-10-6-5-7-11-24;/h13H,5-12H2,1-4H3;1H/b19-13+;
InChIKey LLHHRDXIXNFHQP-XTWSRORZSA-N
Mol Weight 411.94 g/mol
Molecular Formula C18H30ClN7O2
Exact Mass 411.214951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANwVJ33YZGS
Name 1H-purine-7-propanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, 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 411.214950932 u
Formula C18H30ClN7O2
InChI InChI=1S/C18H29N7O2.ClH/c1-21(2)13-19-9-8-12-25-14-15(22(3)18(27)23(4)16(14)26)20-17(25)24-10-6-5-7-11-24;/h13H,5-12H2,1-4H3;1H/b19-13+;
InChIKey LLHHRDXIXNFHQP-XTWSRORZSA-N
Molecular Weight 411.938 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11877
Solvent DMSO-d6
Source Vendor ID: NMR/10260896; Lab Info: BEV; Lab Number: BEV-0000093