| SpectraBase Compound ID | 6ebVGBVHnMU |
|---|---|
| InChI | InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m1/s1 |
| InChIKey | HQCGSJRACGWHOF-LXOZGROOSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C21H38O |
| Exact Mass | 306.292266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVBzLJvOo7T |
|---|---|
| Name | (Z,Z)-(+-)-cis-2-(2,5-octdienyl)-3-undecyloxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.292265843 u |
| Formula | C21H38O |
| InChI | InChI=1S/C21H38O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h6,8,14,16,20-21H,3-5,7,9-13,15,17-19H2,1-2H3/b8-6-,16-14-/t20-,21+/m1/s1 |
| InChIKey | HQCGSJRACGWHOF-LXOZGROOSA-N |
| Molecular Weight | 306.534 g/mol |
| SMILES | [C@]1(O[C@]1(CCCCCCCCCCC)[H])(C\C=C/C\C=C/CC)[H] |