| SpectraBase Compound ID | AyWeqEpfJGr |
|---|---|
| InChI | InChI=1S/C29H56O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-33-28(30)23-20-17-14-15-18-21-24-29(31)34-27-26-32-2/h3-27H2,1-2H3 |
| InChIKey | OKSNYVZZBKFZGI-UHFFFAOYSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C29H56O5 |
| Exact Mass | 484.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K78GzmHKB9X |
|---|---|
| Name | Sebacic acid, hexadecyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.412774898 u |
| Formula | C29H56O5 |
| InChI | InChI=1S/C29H56O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-33-28(30)23-20-17-14-15-18-21-24-29(31)34-27-26-32-2/h3-27H2,1-2H3 |
| InChIKey | OKSNYVZZBKFZGI-UHFFFAOYSA-N |
| Molecular Weight | 484.762 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCCCCCCC)=O)=O)COC |