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1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-N-[(2E)-pyrrolidinylidene]-, chloride
SpectraBase Compound ID HsLgJDBBUde
InChI InChI=1S/C13H18N6O2.ClH/c1-17-11-10(12(20)18(2)13(17)21)19(8-16-11)7-6-15-9-4-3-5-14-9;/h8H,3-7H2,1-2H3,(H,14,15);1H
InChIKey VDBAKRYGQFLGRR-UHFFFAOYSA-N
Mol Weight 326.79 g/mol
Molecular Formula C13H19ClN6O2
Exact Mass 326.125802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MWYMSlu3hG
Name 1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-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 326.125801574 u
Formula C13H19ClN6O2
InChI InChI=1S/C13H18N6O2.ClH/c1-17-11-10(12(20)18(2)13(17)21)19(8-16-11)7-6-15-9-4-3-5-14-9;/h8H,3-7H2,1-2H3,(H,14,15);1H
InChIKey VDBAKRYGQFLGRR-UHFFFAOYSA-N
Molecular Weight 326.788 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12903
Solvent DMSO-d6
Source Vendor ID: NMR/10260869; Lab Info: BEV; Lab Number: BEV-0000055