| SpectraBase Compound ID | DkKt4dX6u1C |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-3-4-9-13(16)19-12-8-6-5-7-11(12)14(17)18-10(2)15/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MXKFJNOEMKQIPB-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C14H16O5 |
| Exact Mass | 264.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMDjCyH8u5Q |
|---|---|
| Name | Valeroyl salicylate, o-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.099773610 u |
| Formula | C14H16O5 |
| InChI | InChI=1S/C14H16O5/c1-3-4-9-13(16)19-12-8-6-5-7-11(12)14(17)18-10(2)15/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MXKFJNOEMKQIPB-UHFFFAOYSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C1(=CC=CC=C1OC(CCCC)=O)C(OC(C)=O)=O |