| SpectraBase Compound ID | 4RqhqVpgwa2 |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-13(2)9-11-19-16-8-6-5-7-15(16)17(18)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey | SYULKQZQVWWGQJ-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 | DFkPjyiyRGp |
|---|---|
| Name | Salicylic acid, 3-methylbutyl ether, 3-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/c1-13(2)9-11-19-16-8-6-5-7-15(16)17(18)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey | SYULKQZQVWWGQJ-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCC(C)C)=O)OCCC(C)C |