| SpectraBase Spectrum ID |
C578IfzaApP |
| Name |
5-(3,4-dimethoxyphenyl)-1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-2-methylpentan-2-ylium 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 |
436.162581005 u |
| Formula |
C19H25ClN6O4 |
| InChI |
InChI=1S/C19H24N6O4.ClH/c1-23-17-16(18(26)24(2)19(23)27)25(11-22-17)10-15(20)21-8-7-12-5-6-13(28-3)14(9-12)29-4;/h5-6,9,11H,7-8,10H2,1-4H3,(H2,20,21);1H |
| InChIKey |
JAELEEZRHKXCSN-UHFFFAOYSA-N |
| Molecular Weight |
436.900 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14622 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10320893; Lab Info: BEV; Lab Number: NMR/10260875 |
