| SpectraBase Compound ID | 9CcgFPJPciL |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)29-24(22-27-2)23-28-3/h11-12,24H,4-10,13-23H2,1-3H3/b12-11- |
| InChIKey | ZKIVTPVYCIAXCY-QXMHVHEDSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jlrid0nxMXt |
|---|---|
| Name | (Z)-1,3-Dimethoxypropan-2-yl icos-11-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)29-24(22-27-2)23-28-3/h11-12,24H,4-10,13-23H2,1-3H3/b12-11- |
| InChIKey | ZKIVTPVYCIAXCY-QXMHVHEDSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCCCCCCCC\C=C/CCCCCCCC)(=O)OC(COC)COC |