| SpectraBase Spectrum ID |
H5iH9yrIZwy |
| Name |
Purin-2,6-dione, 1,3,9-trimethyl-8-[2-nitrophenethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.112403979 u |
| Formula |
C16H15N5O4 |
| InChI |
InChI=1S/C16H15N5O4/c1-18-12(9-8-10-6-4-5-7-11(10)21(24)25)17-14-13(18)15(22)20(3)16(23)19(14)2/h4-9H,1-3H3/b9-8+ |
| InChIKey |
ZRMBLIXJCMIHLX-CMDGGOBGSA-N |
| Molecular Weight |
341.327 g/mol |
| SMILES |
C1(N(C(C2=C(N1C)N=C(N2C)\C=C\C1=C(C=CC=C1)N(=O)=O)=O)C)=O |
![Purin-2,6-dione, 1,3,9-trimethyl-8-[2-nitrophenethenyl]-](/api/spectrum/H5iH9yrIZwy/structure.png?h=300&w=458 "Purin-2,6-dione, 1,3,9-trimethyl-8-[2-nitrophenethenyl]-")
