For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride

View entire compound with spectra: 1 NMR

1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride
SpectraBase Compound ID Ef6DVkv9mzA
InChI InChI=1S/C21H33N7O2.ClH/c1-25-18-17(19(29)26(2)21(25)30)28(20(24-18)27-13-7-4-8-14-27)15-9-12-23-16-10-5-3-6-11-22-16;/h3-15H2,1-2H3,(H,22,23);1H
InChIKey XFJHYLOSGDGZJC-UHFFFAOYSA-N
Mol Weight 452.0 g/mol
Molecular Formula C21H34ClN7O2
Exact Mass 451.246251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FDJn0eL4qZs
Name 1H-purine-7-propanaminium, N-[(2E)-hexahydro-2H-azepin-2-ylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, 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 451.246251061 u
Formula C21H34ClN7O2
InChI InChI=1S/C21H33N7O2.ClH/c1-25-18-17(19(29)26(2)21(25)30)28(20(24-18)27-13-7-4-8-14-27)15-9-12-23-16-10-5-3-6-11-22-16;/h3-15H2,1-2H3,(H,22,23);1H
InChIKey XFJHYLOSGDGZJC-UHFFFAOYSA-N
Molecular Weight 452.003 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13519
Solvent DMSO-d6
Source Vendor ID: NMR/10260890; Lab Info: BEV; Lab Number: BEV-0000087