| SpectraBase Spectrum ID |
1h9mO2hSKKb |
| Name |
2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid |
| Alternate Name(s) |
2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzoic acid
2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12N4O4 |
| InChI |
InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-5-3-4-6-8(7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21) |
| InChIKey |
BBISNWCHHLHHHN-UHFFFAOYSA-N |
| Molecular Weight |
300.274 g/mol |
| SMILES |
[nH]1c(-c2c(C(=O)O)cccc2)nc2c1C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-001i-0192000000-fb47fcfcdff9bfe6d503 |
| Source of Spectrum |
H1-51-35-6 |
| Wiley ID |
817060 |
