| SpectraBase Compound ID | CIsXzvLPsdJ |
|---|---|
| InChI | InChI=1S/C21H42O4/c1-6-9-20(8-3)17-23-14-11-21(18-24-13-10-19(4)5)25-16-15-22-12-7-2/h7,19-21H,2,6,8-18H2,1,3-5H3 |
| InChIKey | UQFJIIBMCVRKRR-UHFFFAOYSA-N |
| Mol Weight | 358.6 g/mol |
| Molecular Formula | C21H42O4 |
| Exact Mass | 358.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1meu1Y5j2op |
|---|---|
| Name | 12-Ethyl-8-(5'-methyl-2'-oxa-1'-hexyl)-4,7,10-trioxa-1-hexadecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.308309828 u |
| Formula | C21H42O4 |
| InChI | InChI=1S/C21H42O4/c1-6-9-20(8-3)17-23-14-11-21(18-24-13-10-19(4)5)25-16-15-22-12-7-2/h7,19-21H,2,6,8-18H2,1,3-5H3 |
| InChIKey | UQFJIIBMCVRKRR-UHFFFAOYSA-N |
| Molecular Weight | 358.563 g/mol |
| SMILES | C(=C)COCCOC(CCOCC(CC)CCC)COCCC(C)C |