| SpectraBase Compound ID | LIbqpKGxMir |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-12-6-5-8-15(2)9-7-13(10-14(12)15)16(3,17)11-18-4/h13-14,17H,1,5-11H2,2-4H3/t13-,14+,15-,16?/m1/s1 |
| InChIKey | XGHXHXCOBIMGAR-IUOOZAAYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VQlZLTSWh3 |
|---|---|
| Name | 4(15)-Selinene-11,12-diol, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-12-6-5-8-15(2)9-7-13(10-14(12)15)16(3,17)11-18-4/h13-14,17H,1,5-11H2,2-4H3/t13-,14+,15-,16?/m1/s1 |
| InChIKey | XGHXHXCOBIMGAR-IUOOZAAYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(C(C)(O)[C@]1(C[C@]2([H])[C@@](CC1)(CCCC2=C)C)[H])OC |