| SpectraBase Compound ID | ytRTKxFl1b |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-9(20-11(3)18)5-6-13-14-7-12-10(2)16(19)21-15(12)8-17(13,14)4/h9,12-15H,2,5-8H2,1,3-4H3/t9-,12-,13+,14+,15-,17-/m1/s1 |
| InChIKey | GKEAAOPAQFBOCA-JISPYCROSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPv56e2vc9e |
|---|---|
| Name | Carabrol, ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-9(20-11(3)18)5-6-13-14-7-12-10(2)16(19)21-15(12)8-17(13,14)4/h9,12-15H,2,5-8H2,1,3-4H3/t9-,12-,13+,14+,15-,17-/m1/s1 |
| InChIKey | GKEAAOPAQFBOCA-JISPYCROSA-N |
| SMILES | [C@]12([H])C[C@]3([C@@]([H])(C[C@]2([H])C(=C)C(=O)O1)[C@@]3(CC[C@](OC(=O)C)(C)[H])[H])C |