| SpectraBase Compound ID | KNO2w92hzoe |
|---|---|
| InChI | InChI=1S/C12H13NO8/c1-19-9-5-7(12(15)16)8(13(17)18)6-10(9)21-4-3-11(14)20-2/h5-6H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | USVSMKMFZHEITH-UHFFFAOYSA-N |
| Mol Weight | 299.24 g/mol |
| Molecular Formula | C12H13NO8 |
| Exact Mass | 299.064116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uvs1Fid2s5 |
|---|---|
| Name | 4-(3-Keto-3-methoxy-propoxy)-5-methoxy-2-nitro-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.064116375 u |
| Formula | C12H13NO8 |
| InChI | InChI=1S/C12H13NO8/c1-19-9-5-7(12(15)16)8(13(17)18)6-10(9)21-4-3-11(14)20-2/h5-6H,3-4H2,1-2H3,(H,15,16) |
| InChIKey | USVSMKMFZHEITH-UHFFFAOYSA-N |
| SMILES | C(CCOC=1C(=CC(=C(C1)N(=O)=O)C(=O)O)OC)(=O)OC |