| SpectraBase Compound ID | 5jtD7xd58c7 |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-5-13(3)11-19-16-10-8-7-9-15(16)17(18)20-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | KVOOIWOVRWCHTQ-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dXq94MFzj8 |
|---|---|
| Name | Salicylic acid, 2-methylbutyl ether, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.188194694 u |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-5-13(3)11-19-16-10-8-7-9-15(16)17(18)20-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey | KVOOIWOVRWCHTQ-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC(CC)C)=O)OCC(CC)C |