| SpectraBase Compound ID | HATATBQRtHG |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-11-8-14(19-4)10-17(3)7-6-13(9-15(11)17)12(2)16(18)20-5/h13-15H,1-2,6-10H2,3-5H3 |
| InChIKey | QDEXQHMGPNAMHB-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 | BsIDO7upwhD |
|---|---|
| Name | 2-Hydroxycostic acid, o,o-bis-methyl |
| 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/c1-11-8-14(19-4)10-17(3)7-6-13(9-15(11)17)12(2)16(18)20-5/h13-15H,1-2,6-10H2,3-5H3 |
| InChIKey | QDEXQHMGPNAMHB-UHFFFAOYSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | C(C(=C)C1CC2C(CC1)(CC(CC2=C)OC)C)(=O)OC |