| SpectraBase Compound ID | HjrRpHQ3Hv7 |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-20(19(4)5)26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-13-14-18(2)3/h18-20H,6-17H2,1-5H3 |
| InChIKey | XLBQPZFXVRZNLK-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMjk7FmUIpO |
|---|---|
| Name | Sebacic acid, isohexyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-6-20(19(4)5)26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-13-14-18(2)3/h18-20H,6-17H2,1-5H3 |
| InChIKey | XLBQPZFXVRZNLK-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCCC(C)C)=O |