| SpectraBase Compound ID | 6kHfINL9fUv |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-14-17-20-23-30-25(28)21-18-15-12-13-16-19-22-26(29)31-24-27(2,3)4/h5-24H2,1-4H3 |
| InChIKey | GMZUIYTXGBTQRZ-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LO2SSHNwb6o |
|---|---|
| Name | Sebacic acid, dodecyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-14-17-20-23-30-25(28)21-18-15-12-13-16-19-22-26(29)31-24-27(2,3)4/h5-24H2,1-4H3 |
| InChIKey | GMZUIYTXGBTQRZ-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCCCCC)=O |