| SpectraBase Compound ID | GnJcqrFIswl |
|---|---|
| InChI | InChI=1S/C12H9N5O3/c1-16-10-8(11(18)13-12(16)19)17(20)9(14-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18,19) |
| InChIKey | XGBNDUSNZDSXFP-UHFFFAOYSA-N |
| Mol Weight | 271.24 g/mol |
| Molecular Formula | C12H9N5O3 |
| Exact Mass | 271.070539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JUBdcu0UKtP |
|---|---|
| Name | 6-Demethyl-3-phenylfervenulin-4-oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9N5O3 |
| InChI | InChI=1S/C12H9N5O3/c1-16-10-8(11(18)13-12(16)19)17(20)9(14-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18,19) |
| InChIKey | XGBNDUSNZDSXFP-UHFFFAOYSA-N |
| Molecular Weight | 271.236 g/mol |
| SMILES | N1C(c2c(N(C1=O)C)nnc([n+]2[O-])-c1ccccc1)=O |
| SPLASH | splash10-0532-3950000000-dd5df1318580f9c172f1 |
| Source of Spectrum | AH-130-825-9 |
| Synonyms | 8-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione 4-oxide 8-Methyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione 8-Methyl-4-oxido-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione 8-Methyl-4-oxidanidyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione |
| Wiley ID | 770754 |