| SpectraBase Spectrum ID |
1kXtyzr8GvL |
| Name |
8-((3-Methoxybenzyl)oxy)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.132805072 u |
| Formula |
C16H18N4O4 |
| InChI |
InChI=1S/C16H18N4O4/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)24-9-10-6-5-7-11(8-10)23-4/h5-8H,9H2,1-4H3 |
| InChIKey |
SDEMBXFOALFRQD-UHFFFAOYSA-N |
| Molecular Weight |
330.344 g/mol |
| SMILES |
C1=2N(C(=NC2N(C(=O)N(C1=O)C)C)OCC1=CC(=CC=C1)OC)C |
