| SpectraBase Compound ID | FixEnRW6Jox |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1 |
| InChIKey | GRJFTUSJGMRSSJ-SQGBXOFWSA-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 | NPMyQEpXLP |
|---|---|
| Name | Abscisic alcohol |
| 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/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,16,18H,8,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1 |
| InChIKey | GRJFTUSJGMRSSJ-SQGBXOFWSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1C(C=C([C@@](C1(C)C)(\C=C\C(=C\CO)C)O)C)=O |