| SpectraBase Compound ID | LmnEjSPhwq1 |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-17H,5-12H2,1-4H3,(H,21,22) |
| InChIKey | YPGLTKHJEQHKSS-UHFFFAOYSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Dq9HPXKKAx |
|---|---|
| Name | Tetrahydroabietic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-17H,5-12H2,1-4H3,(H,21,22) |
| InChIKey | YPGLTKHJEQHKSS-UHFFFAOYSA-N |
| SMILES | C1CCC2(C(C1(C(=O)O)C)CCC1C2CCC(C1)C(C)C)C |