![[(o-Anisidino)methylene]malonic acid, cyclic isopropylidene ester](/api/spectrum/GdEDyp77xLr/structure.png?h=300&w=458 "[(o-Anisidino)methylene]malonic acid, cyclic isopropylidene ester")
| SpectraBase Compound ID | GkcobGvBiXL |
|---|---|
| InChI | InChI=1S/C14H15NO5/c1-14(2)19-12(16)9(13(17)20-14)8-15-10-6-4-5-7-11(10)18-3/h4-8,15H,1-3H3 |
| InChIKey | SMKJLXICQFHECP-UHFFFAOYSA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C14H15NO5 |
| Exact Mass | 277.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdEDyp77xLr |
|---|---|
| Name | [(o-Anisidino)methylene]malonic acid, cyclic isopropylidene ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.095022582 u |
| Formula | C14H15NO5 |
| InChI | InChI=1S/C14H15NO5/c1-14(2)19-12(16)9(13(17)20-14)8-15-10-6-4-5-7-11(10)18-3/h4-8,15H,1-3H3 |
| InChIKey | SMKJLXICQFHECP-UHFFFAOYSA-N |
| Molecular Weight | 277.276 g/mol |
| SMILES | N(C1=CC=CC=C1OC)C=C1C(OC(OC1=O)(C)C)=O |