| SpectraBase Compound ID | JpFbZJGS5C1 |
|---|---|
| InChI | InChI=1S/C12H11N3O3/c1-9-7-13-12(14(16)8-9)6-10-2-4-11(5-3-10)15(17)18/h2-5,7-8H,6H2,1H3 |
| InChIKey | YBTIULCPJZIUGY-UHFFFAOYSA-N |
| Mol Weight | 245.24 g/mol |
| Molecular Formula | C12H11N3O3 |
| Exact Mass | 245.080041 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1f5BB2YIZHJ |
|---|---|
| Name | 5-Methyl-2-(4-nitrobenzyl)pyrimidine 1-oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H11N3O3 |
| InChI | InChI=1S/C12H11N3O3/c1-9-7-13-12(14(16)8-9)6-10-2-4-11(5-3-10)15(17)18/h2-5,7-8H,6H2,1H3 |
| InChIKey | YBTIULCPJZIUGY-UHFFFAOYSA-N |
| Molecular Weight | 245.238 g/mol |
| SMILES | c1([n+](cc(cn1)C)[O-])Cc1ccc(N(=O)=O)cc1 |
| SPLASH | splash10-0002-0910000000-8f10b8a7cb93e4e1883f |
| Source of Spectrum | F-54-4394-4 |
| Wiley ID | 806562 |