| SpectraBase Compound ID | HYHUUxdRwc8 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13-,15-/m1/s1 |
| InChIKey | MTIXBBDFRVGBOQ-LTIBUCPLSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaKy4WdY5Xy |
|---|---|
| Name | Carabrol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13-,15-/m1/s1 |
| InChIKey | MTIXBBDFRVGBOQ-LTIBUCPLSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | [C@]12([H])C[C@]3([C@@]([H])(C[C@]2([H])C(=C)C(=O)O1)[C@@]3(CC[C@](O)(C)[H])[H])C |