| SpectraBase Compound ID | AE8K5UoFpbg |
|---|---|
| InChI | InChI=1S/C13H12O5/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7,14H,1-2H3 |
| InChIKey | JPPNMIXVIYOENU-UHFFFAOYSA-N |
| Mol Weight | 248.23 g/mol |
| Molecular Formula | C13H12O5 |
| Exact Mass | 248.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lDV9iWZXLZ |
|---|---|
| Name | Malonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.068473481 u |
| Formula | C13H12O5 |
| InChI | InChI=1S/C13H12O5/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7,14H,1-2H3 |
| InChIKey | JPPNMIXVIYOENU-UHFFFAOYSA-N |
| Molecular Weight | 248.234 g/mol |
| SMILES | C(=C1C(=O)OC(OC1=O)(C)C)C1=CC=C(C=C1)O |