| SpectraBase Compound ID | 8beP94YSRQb |
|---|---|
| InChI | InChI=1S/C18H30O2Si/c1-12-14-7-8-15(16(19)20-21(4,5)6)18(14)10-9-13(11-18)17(12,2)3/h13-15H,1,7-11H2,2-6H3/t13-,14-,15-,18-/m1/s1 |
| InChIKey | XLPPIPAYCBJQOA-ATNYBXOESA-N |
| Mol Weight | 306.52 g/mol |
| Molecular Formula | C18H30O2Si |
| Exact Mass | 306.201507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOACZ1K5qaC |
|---|---|
| Name | Zizanoic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.201506739 u |
| Formula | C18H30O2Si |
| InChI | InChI=1S/C18H30O2Si/c1-12-14-7-8-15(16(19)20-21(4,5)6)18(14)10-9-13(11-18)17(12,2)3/h13-15H,1,7-11H2,2-6H3/t13-,14-,15-,18-/m1/s1 |
| InChIKey | XLPPIPAYCBJQOA-ATNYBXOESA-N |
| SMILES | [C@@]123[C@@](C(C([C@@](C3)(CC1)[H])(C)C)=C)(CC[C@@]2(C(=O)O[Si](C)(C)C)[H])[H] |