| SpectraBase Compound ID | DF9jaa8oxkf |
|---|---|
| InChI | InChI=1S/C18H30O3Si/c1-14(9-11-21-22(5,6)7)8-10-18(20)15(2)12-16(19)13-17(18,3)4/h8-10,12,20H,11,13H2,1-7H3/b10-8+,14-9+/t18-/m1/s1 |
| InChIKey | DHFIDBAOWCEDIG-RQFAOLRRSA-N |
| Mol Weight | 322.52 g/mol |
| Molecular Formula | C18H30O3Si |
| Exact Mass | 322.196421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SpKwEYkgLS |
|---|---|
| Name | Abscisic alcohol, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.196421358 u |
| Formula | C18H30O3Si |
| InChI | InChI=1S/C18H30O3Si/c1-14(9-11-21-22(5,6)7)8-10-18(20)15(2)12-16(19)13-17(18,3)4/h8-10,12,20H,11,13H2,1-7H3/b10-8+,14-9+/t18-/m1/s1 |
| InChIKey | DHFIDBAOWCEDIG-RQFAOLRRSA-N |
| Molecular Weight | 322.520 g/mol |
| SMILES | C1C(C=C([C@@](C1(C)C)(\C=C\C(=C\CO[Si](C)(C)C)C)O)C)=O |