| SpectraBase Compound ID | IiN7IbeLSAS |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-13-16-19-23-30-26(28)20-17-14-11-12-15-18-21-27(29)31-24-22-25(2)3/h22H,4-21,23-24H2,1-3H3 |
| InChIKey | CDIRWXSCWFTRTI-UHFFFAOYSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C27H50O4 |
| Exact Mass | 438.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTcTrfhzvvR |
|---|---|
| Name | Sebacic acid, dodecyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.370910086 u |
| Formula | C27H50O4 |
| InChI | InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-13-16-19-23-30-26(28)20-17-14-11-12-15-18-21-27(29)31-24-22-25(2)3/h22H,4-21,23-24H2,1-3H3 |
| InChIKey | CDIRWXSCWFTRTI-UHFFFAOYSA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCC)=O)(OCC=C(C)C)=O |