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1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3,5-dimethylhexan-3-ylium chloride

View entire compound with spectra: 1 NMR

1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3,5-dimethylhexan-3-ylium chloride
SpectraBase Compound ID DkvclsEEknY
InChI InChI=1S/C13H20N6O2.ClH/c1-8(2)16-9(14)5-6-19-7-15-11-10(19)12(20)18(4)13(21)17(11)3;/h7-8H,5-6H2,1-4H3,(H2,14,16);1H
InChIKey MOANHEIOURBBMM-UHFFFAOYSA-N
Mol Weight 328.8 g/mol
Molecular Formula C13H21ClN6O2
Exact Mass 328.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVIKvuY5lUE
Name 1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3,5-dimethylhexan-3-ylium 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 328.141451638 u
Formula C13H21ClN6O2
InChI InChI=1S/C13H20N6O2.ClH/c1-8(2)16-9(14)5-6-19-7-15-11-10(19)12(20)18(4)13(21)17(11)3;/h7-8H,5-6H2,1-4H3,(H2,14,16);1H
InChIKey MOANHEIOURBBMM-UHFFFAOYSA-N
Molecular Weight 328.804 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14694
Solvent DMSO-d6
Source Vendor ID: NMR/10260879; Lab Info: BEV; Lab Number: BEV-0000066