| SpectraBase Compound ID | G6NG3jkICLe |
|---|---|
| InChI | InChI=1S/C15H26O/c1-11-6-5-9-15(4,16)13-10-14(2,3)12(13)8-7-11/h6,12-13,16H,5,7-10H2,1-4H3/b11-6-/t12-,13+,15-/m1/s1 |
| InChIKey | ALNKZTYOLOJPKB-ALWUVHDYSA-N |
| Mol Weight | 222.37 g/mol |
| Molecular Formula | C15H26O |
| Exact Mass | 222.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HBP0OlCrqe |
|---|---|
| Name | Caryophyll-5-en-2.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.198365456 u |
| Formula | C15H26O |
| InChI | InChI=1S/C15H26O/c1-11-6-5-9-15(4,16)13-10-14(2,3)12(13)8-7-11/h6,12-13,16H,5,7-10H2,1-4H3/b11-6-/t12-,13+,15-/m1/s1 |
| InChIKey | ALNKZTYOLOJPKB-ALWUVHDYSA-N |
| Molecular Weight | 222.372 g/mol |
| SMILES | [C@]12([C@](CC\C(C)=C/CC[C@]2(O)C)([H])C(C1)(C)C)[H] |