| SpectraBase Compound ID | 4J7OlfrCBZ1 |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-3-16-12(14)9-18-11-8-6-5-7-10(11)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | NIUVYKIVCCMXLR-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaXt0gLYkg7 |
|---|---|
| Name | Ethyl o-carboethoxymethylsalicylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-3-16-12(14)9-18-11-8-6-5-7-10(11)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | NIUVYKIVCCMXLR-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C1=CC(C(=O)OCC)=C(C=C1)OCC(OCC)=O |