| SpectraBase Compound ID | 9J62af3zGn4 |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-10(2)9-21-13(17)15(3,4)14(18)22-12-7-5-6-11(8-12)16(19)20/h5-8,10H,9H2,1-4H3 |
| InChIKey | HLRAZGSEIFKIRX-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jjrI7wcMSE |
|---|---|
| Name | Dimethylmalonic acid, isobutyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-10(2)9-21-13(17)15(3,4)14(18)22-12-7-5-6-11(8-12)16(19)20/h5-8,10H,9H2,1-4H3 |
| InChIKey | HLRAZGSEIFKIRX-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | CC(C)COC(=O)C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C |