| SpectraBase Compound ID | 9bNH11ToRTi |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-4-5-6-7-8-11-14-17-21-28-24(26)18-15-12-9-10-13-16-19-25(27)29-22-20-23(2)3/h20H,4-19,21-22H2,1-3H3 |
| InChIKey | XBMDYCYGVXXIDH-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzCKuL9kqbQ |
|---|---|
| Name | Sebacic acid, decyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-4-5-6-7-8-11-14-17-21-28-24(26)18-15-12-9-10-13-16-19-25(27)29-22-20-23(2)3/h20H,4-19,21-22H2,1-3H3 |
| InChIKey | XBMDYCYGVXXIDH-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCC)=O)(OCC=C(C)C)=O |