| SpectraBase Compound ID | 3pSzDUDDD6J |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-22-26-33-29(31)24-20-19-21-25-30(32)34-27-28(6-3)23-8-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | VSULDSSBUFBYGG-UHFFFAOYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C30H58O4 |
| Exact Mass | 482.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mBWgeR3JiU |
|---|---|
| Name | Pimelic acid, 2-ethylhexyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.433510344 u |
| Formula | C30H58O4 |
| InChI | InChI=1S/C30H58O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-22-26-33-29(31)24-20-19-21-25-30(32)34-27-28(6-3)23-8-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | VSULDSSBUFBYGG-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCC)=O |