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

*Links on SpectraBase are not permalinks.
1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-N-[(E)-[(4-methoxyphenyl)imino]methyl]-1,3-dimethyl-2,6-dioxo-, chloride
SpectraBase Compound ID BLLZLWUYBk3
InChI InChI=1S/C17H20N6O3.ClH/c1-21-15-14(16(24)22(2)17(21)25)23(11-20-15)9-8-18-10-19-12-4-6-13(26-3)7-5-12;/h4-7,10-11H,8-9H2,1-3H3,(H,18,19);1H
InChIKey MGJPXWBUFMLAGY-UHFFFAOYSA-N
Mol Weight 392.85 g/mol
Molecular Formula C17H21ClN6O3
Exact Mass 392.136366 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 9xwnQedQu8t
Name 1H-purine-7-ethanaminium, 2,3,6,7-tetrahydro-N-[(E)-[(4-methoxyphenyl)imino]methyl]-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 392.136366257 u
Formula C17H21ClN6O3
InChI InChI=1S/C17H20N6O3.ClH/c1-21-15-14(16(24)22(2)17(21)25)23(11-20-15)9-8-18-10-19-12-4-6-13(26-3)7-5-12;/h4-7,10-11H,8-9H2,1-3H3,(H,18,19);1H
InChIKey MGJPXWBUFMLAGY-UHFFFAOYSA-N
Molecular Weight 392.847 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13334
Solvent DMSO-d6
Source Vendor ID: NMR/10260887; Lab Info: BEV; Lab Number: BEV-0000075