| SpectraBase Compound ID | 1xBGpMSpIeu |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-6-7-8-13-16-19-26-21(24)17-14-11-9-10-12-15-18-22(25)27-20-23(2,3)4/h5-20H2,1-4H3 |
| InChIKey | BSBMRPYJWKAQQH-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lA6CPTIqvn |
|---|---|
| Name | Sebacic acid, neopentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-5-6-7-8-13-16-19-26-21(24)17-14-11-9-10-12-15-18-22(25)27-20-23(2,3)4/h5-20H2,1-4H3 |
| InChIKey | BSBMRPYJWKAQQH-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCC)=O |