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1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-N-[(2E)-piperidinylidene]-, chloride
SpectraBase Compound ID C2l1cPJL6tn
InChI InChI=1S/C14H20N6O2.ClH/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-7-16-10-5-3-4-6-15-10;/h9H,3-8H2,1-2H3,(H,15,16);1H
InChIKey YFEJQIGOFRINTG-UHFFFAOYSA-N
Mol Weight 340.82 g/mol
Molecular Formula C14H21ClN6O2
Exact Mass 340.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EIGttWxPiUF
Name 1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-N-[(2E)-piperidinylidene]-, 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 340.141451638 u
Formula C14H21ClN6O2
InChI InChI=1S/C14H20N6O2.ClH/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-7-16-10-5-3-4-6-15-10;/h9H,3-8H2,1-2H3,(H,15,16);1H
InChIKey YFEJQIGOFRINTG-UHFFFAOYSA-N
Molecular Weight 340.815 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12940
Solvent DMSO-d6
Source Vendor ID: NMR/10260871; Lab Info: BEV; Lab Number: BEV-0000057