| SpectraBase Compound ID | GKPneaJzhKM |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-13(2)17(19)22-16-11-7-6-10-15(16)18(20)21-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | IARFYMLECCGGSA-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeWAZ7CEunF |
|---|---|
| Name | Salicylic acid, o-(2-methylpropionyl)-, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-13(2)17(19)22-16-11-7-6-10-15(16)18(20)21-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | IARFYMLECCGGSA-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)(=O)C1=C(OC(C(C)C)=O)C=CC=C1 |