| SpectraBase Compound ID | 4aWS7wHEbKT |
|---|---|
| InChI | InChI=1S/C23H42O/c1-4-6-7-8-13-16-19-22(3)20-17-14-11-9-10-12-15-18-21-23(24)5-2/h2,18,21-24H,4,6-17,19-20H2,1,3H3/b21-18+/t22?,23-/m0/s1 |
| InChIKey | OJSONOXLRPJULC-TVVHOIPDSA-N |
| Mol Weight | 334.6 g/mol |
| Molecular Formula | C23H42O |
| Exact Mass | 334.323566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AORKF0lWfgH |
|---|---|
| Name | (E,3R)-14-Methyl-3-docos-4-en-1-ynol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.323565971 u |
| Formula | C23H42O |
| InChI | InChI=1S/C23H42O/c1-4-6-7-8-13-16-19-22(3)20-17-14-11-9-10-12-15-18-21-23(24)5-2/h2,18,21-24H,4,6-17,19-20H2,1,3H3/b21-18+/t22?,23-/m0/s1 |
| InChIKey | OJSONOXLRPJULC-TVVHOIPDSA-N |
| Molecular Weight | 334.588 g/mol |
| SMILES | C(#C)[C@@](\C=C\CCCCCCCCC(CCCCCCCC)C)(O)[H] |