![5-Methyl-2-(4-nitro-phenyl)-[1,3]dioxane-5-carboxylic acid](/api/spectrum/IuZO2JRNPla/structure.png?h=300&w=458 "5-Methyl-2-(4-nitro-phenyl)-[1,3]dioxane-5-carboxylic acid")
| SpectraBase Compound ID | 9PMNuDs9LcE |
|---|---|
| InChI | InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15) |
| InChIKey | RHBFUMRYUOSFNM-UHFFFAOYSA-N |
| Mol Weight | 267.24 g/mol |
| Molecular Formula | C12H13NO6 |
| Exact Mass | 267.074287 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IuZO2JRNPla |
|---|---|
| Name | 5-Methyl-2-(4-nitro-phenyl)-[1,3]dioxane-5-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO6 |
| InChI | InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15) |
| InChIKey | RHBFUMRYUOSFNM-UHFFFAOYSA-N |
| Molecular Weight | 267.237 g/mol |
| SMILES | OC(C1(COC(c2ccc(N(=O)=O)cc2)OC1)C)=O |
| SPLASH | splash10-0gb9-9860000000-790717105e06d57cef63 |
| Wiley ID | 1463961 |