| SpectraBase Compound ID | 8IAClePbYuc |
|---|---|
| InChI | InChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14- |
| InChIKey | YVHMYAXTGNQAFL-JXAWBTAJSA-N |
| Mol Weight | 322.6 g/mol |
| Molecular Formula | C22H42O |
| Exact Mass | 322.323566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DC7F2qJK43 |
|---|---|
| Name | Z-5-Methyl-6-heneicosen-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.323565971 u |
| Formula | C22H42O |
| InChI | InChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14- |
| InChIKey | YVHMYAXTGNQAFL-JXAWBTAJSA-N |
| Molecular Weight | 322.577 g/mol |
| SMILES | C(CCC(CCC\C=C/C(CCCC)C)=O)CCCCCCC |