| SpectraBase Compound ID | E1YHSqZQnA6 |
|---|---|
| InChI | InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5+/t12-,13-,14-/m1/s1 |
| InChIKey | VLWNRFXSKLVVEB-ZHBPPSIXSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVyqspBDKiI |
|---|---|
| Name | (2S,5E)-Caryophyll-5-en-12-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.182715392 u |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)13-9-15(2,3)14(13)8-7-11/h5,10,12-14H,4,6-9H2,1-3H3/b11-5+/t12-,13-,14-/m1/s1 |
| InChIKey | VLWNRFXSKLVVEB-ZHBPPSIXSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | C1([C@@]2(CC\C(=C\CC[C@@]([C@]2(C1)[H])(C=O)[H])C)[H])(C)C |