| SpectraBase Compound ID | 6es6NOkJM6F |
|---|---|
| InChI | InChI=1S/C27H50O5/c1-2-3-4-5-6-7-8-11-14-17-22-31-26(28)20-15-12-9-10-13-16-21-27(29)32-24-25-19-18-23-30-25/h25H,2-24H2,1H3 |
| InChIKey | KPNZWADOJDRTKF-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C27H50O5 |
| Exact Mass | 454.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWXwrV3JYzK |
|---|---|
| Name | Sebacic acid, dodecyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.365824705 u |
| Formula | C27H50O5 |
| InChI | InChI=1S/C27H50O5/c1-2-3-4-5-6-7-8-11-14-17-22-31-26(28)20-15-12-9-10-13-16-21-27(29)32-24-25-19-18-23-30-25/h25H,2-24H2,1H3 |
| InChIKey | KPNZWADOJDRTKF-UHFFFAOYSA-N |
| Molecular Weight | 454.692 g/mol |
| SMILES | C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCCCCC)=O)=O |