| SpectraBase Compound ID | 9pLoDTcsf2a |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-3-5-7-9-11-13-15-17-19-24-28-34-30(32)26-22-21-23-27-31(33)35-29-25-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | SVMHFAZRDCUKCM-UHFFFAOYSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C31H60O4 |
| Exact Mass | 496.44916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnqbnrnbUyY |
|---|---|
| Name | Pimelic acid, di(dodecyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.449160408 u |
| Formula | C31H60O4 |
| InChI | InChI=1S/C31H60O4/c1-3-5-7-9-11-13-15-17-19-24-28-34-30(32)26-22-21-23-27-31(33)35-29-25-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | SVMHFAZRDCUKCM-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(OCCCCCCCCCCCC)(=O)CCCCCC(OCCCCCCCCCCCC)=O |