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

*Links on SpectraBase are not permalinks.

1H-purine-7-ethanaminium, 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-ethanaminium, 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 Br4wyQLCqed
InChI InChI=1S/C20H31N7O2.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-7-4-8-13-26)14-11-22-15-9-5-3-6-10-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey PZTDKVMKUNYYDY-UHFFFAOYSA-N
Mol Weight 438.0 g/mol
Molecular Formula C20H32ClN7O2
Exact Mass 437.230601 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 F67XttwTCAr
Name 1H-purine-7-ethanaminium, 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 437.230600996 u
Formula C20H32ClN7O2
InChI InChI=1S/C20H31N7O2.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-7-4-8-13-26)14-11-22-15-9-5-3-6-10-21-15;/h3-14H2,1-2H3,(H,21,22);1H
InChIKey PZTDKVMKUNYYDY-UHFFFAOYSA-N
Molecular Weight 437.976 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14231
Solvent DMSO-d6
Source Vendor ID: NMR/10260889; Lab Info: BEV; Lab Number: BEV-0000086