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1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, chloride

View entire compound with spectra: 1 NMR

1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, chloride
SpectraBase Compound ID EPslVJNmGNO
InChI InChI=1S/C17H26N6O2.ClH/c1-20-10-6-4-5-8-13(20)18-9-7-11-23-12-19-15-14(23)16(24)22(3)17(25)21(15)2;/h12H,4-11H2,1-3H3;1H/b18-13+;
InChIKey NOLICDGXYADXRL-PUBYZPQMSA-N
Mol Weight 382.9 g/mol
Molecular Formula C17H27ClN6O2
Exact Mass 382.188402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eHXrT6tVfa
Name 1H-purine-7-propanaminium, N-[(2E)-hexahydro-1-methyl-2H-azepin-2-ylidene]-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 382.188401831 u
Formula C17H27ClN6O2
InChI InChI=1S/C17H26N6O2.ClH/c1-20-10-6-4-5-8-13(20)18-9-7-11-23-12-19-15-14(23)16(24)22(3)17(25)21(15)2;/h12H,4-11H2,1-3H3;1H/b18-13+;
InChIKey NOLICDGXYADXRL-PUBYZPQMSA-N
Molecular Weight 382.896 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12943
Solvent DMSO-d6
Source Vendor ID: NMR/10260886; Lab Info: BEV; Lab Number: BEV-0000074