| SpectraBase Compound ID | 58e9PHalH1Y |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-4-7-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(6-3)24-8-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | JXGUOQVRPRBKFG-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 | 50fz3z2mksG |
|---|---|
| Name | Sebacic acid, 3-heptyl tridecyl 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/c1-4-7-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(6-3)24-8-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | JXGUOQVRPRBKFG-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCCC)=O)(OC(CCCC)CC)=O |