| SpectraBase Compound ID | 4uxTn87ItMi |
|---|---|
| InChI | InChI=1S/C28H52O2/c1-26(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-28(29)30-27(3)4/h9,11,17,19,26-27H,5-8,10,12-16,18,20-25H2,1-4H3/b11-9-,19-17- |
| InChIKey | MPXDSBASEKNFSF-CCVDTEMHSA-N |
| Mol Weight | 420.7 g/mol |
| Molecular Formula | C28H52O2 |
| Exact Mass | 420.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbBmvLvAM5V |
|---|---|
| Name | I-Propyl 23-methyl-tetracos-5,9-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.396730912 u |
| Formula | C28H52O2 |
| InChI | InChI=1S/C28H52O2/c1-26(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-28(29)30-27(3)4/h9,11,17,19,26-27H,5-8,10,12-16,18,20-25H2,1-4H3/b11-9-,19-17- |
| InChIKey | MPXDSBASEKNFSF-CCVDTEMHSA-N |
| Molecular Weight | 420.722 g/mol |
| SMILES | C(CC\C=C/CC\C=C/CCCCCCCCCCCCC(C)C)C(=O)OC(C)C |