| SpectraBase Compound ID | 7Iw292FtZ9M |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-29-25(27)20-15-16-21-26(28)30-23-18-19-24(2)3/h5-6,24H,4,7-23H2,1-3H3/b6-5+ |
| InChIKey | XDXQNWKLTSYTRY-AATRIKPKSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C26H48O4 |
| Exact Mass | 424.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HfxKnw0hOS |
|---|---|
| Name | Adipic acid, isohexyl tetradec-11-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.355260022 u |
| Formula | C26H48O4 |
| InChI | InChI=1S/C26H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-29-25(27)20-15-16-21-26(28)30-23-18-19-24(2)3/h5-6,24H,4,7-23H2,1-3H3/b6-5+ |
| InChIKey | XDXQNWKLTSYTRY-AATRIKPKSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(CCC(OCCCCCCCCCC\C=C\CC)=O)CC(OCCCC(C)C)=O |