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1H-purine-7-ethanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, chloride
SpectraBase Compound ID 7tgCZNX6fZX
InChI InChI=1S/C12H18N6O2.ClH/c1-15(2)7-13-5-6-18-8-14-10-9(18)11(19)17(4)12(20)16(10)3;/h7-8H,5-6H2,1-4H3;1H/b13-7+;
InChIKey ZLVWHXDNRHUBRS-FTPOTTDRSA-N
Mol Weight 314.78 g/mol
Molecular Formula C12H19ClN6O2
Exact Mass 314.125802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fZN0oNUQfA
Name 1H-purine-7-ethanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-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 314.125801574 u
Formula C12H19ClN6O2
InChI InChI=1S/C12H18N6O2.ClH/c1-15(2)7-13-5-6-18-8-14-10-9(18)11(19)17(4)12(20)16(10)3;/h7-8H,5-6H2,1-4H3;1H/b13-7+;
InChIKey ZLVWHXDNRHUBRS-FTPOTTDRSA-N
Molecular Weight 314.777 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14466
Solvent DMSO-d6
Source Vendor ID: NMR/11210179; Lab Info: BEV; Lab Number: BEV-0101007