| SpectraBase Compound ID | LdwqRc5XUrT |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-5-6-13-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-19-14-15-20(2)3/h5-6,20H,4,7-19H2,1-3H3/b6-5+ |
| InChIKey | ONRCGOHVOXTDPZ-AATRIKPKSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6p7WDcaDBMb |
|---|---|
| Name | Sebacic acid, isohexyl trans-3-hexenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-5-6-13-18-25-21(23)16-11-9-7-8-10-12-17-22(24)26-19-14-15-20(2)3/h5-6,20H,4,7-19H2,1-3H3/b6-5+ |
| InChIKey | ONRCGOHVOXTDPZ-AATRIKPKSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCC(C)C)=O)=O |