| SpectraBase Compound ID | FQSHwL2vbtX |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,17+/m1/s1 |
| InChIKey | BSDFLYIGEBAWIU-ANQUJSFKSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjGPllrbjB |
|---|---|
| Name | Zizanyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-11-15-6-5-14(10-19-12(2)18)17(15)8-7-13(9-17)16(11,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,17+/m1/s1 |
| InChIKey | BSDFLYIGEBAWIU-ANQUJSFKSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | [C@@]123[C@@](C(=C)C([C@@](C3)(CC1)[H])(C)C)(CC[C@@]2(COC(=O)C)[H])[H] |