| SpectraBase Compound ID | xJh4XBSYsg |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-32-27(30)23-20-17-14-15-18-21-24-28(31)33-26-29(2,3)4/h5-26H2,1-4H3 |
| InChIKey | BDBWUFOKRMZRLQ-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YyskzsJucp |
|---|---|
| Name | Sebacic acid, neopentyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-32-27(30)23-20-17-14-15-18-21-24-28(31)33-26-29(2,3)4/h5-26H2,1-4H3 |
| InChIKey | BDBWUFOKRMZRLQ-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCCCCCCC)=O |