| SpectraBase Compound ID | DwkB4ePAQ0p |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-18(2)17-26-21(23)12-10-8-6-5-7-9-11-20(22)25-16-14-19(3)13-15-24-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | SSUNGIINBJHCPC-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aDd81WX13L |
|---|---|
| Name | Sebacic acid, isobutyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-18(2)17-26-21(23)12-10-8-6-5-7-9-11-20(22)25-16-14-19(3)13-15-24-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | SSUNGIINBJHCPC-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(CCCCCCCCC(OCC(C)C)=O)(OCCC(C)CCOC)=O |