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1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-,chloride

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1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-,chloride
SpectraBase Compound ID x8Ln0nVuCp
InChI InChI=1S/C9H13N5O2.ClH/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7;/h5H,3-4,10H2,1-2H3;1H
InChIKey POOHRJCIRTYEQE-UHFFFAOYSA-N
Mol Weight 259.7 g/mol
Molecular Formula C9H14ClN5O2
Exact Mass 259.083602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BiST3qzQkGl
Name 1H-purine-7-ethanaminium, 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 259.083602409 u
Formula C9H14ClN5O2
InChI InChI=1S/C9H13N5O2.ClH/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7;/h5H,3-4,10H2,1-2H3;1H
InChIKey POOHRJCIRTYEQE-UHFFFAOYSA-N
Molecular Weight 259.697 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12234
Solvent DMSO-d6
Source Vendor ID: NMR/10260861; Lab Info: BEV; Lab Number: BEV-0000046