| SpectraBase Compound ID | Imgd1MMZw6A |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-4-6-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(3)24-7-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | VXCMEBMETMJACY-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 | 4QBMYURATte |
|---|---|
| Name | Sebacic acid, 2-hexyl tetradecyl 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/c1-4-6-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-21-18-15-16-19-22-26-30(32)34-28(3)24-7-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | VXCMEBMETMJACY-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)(OC(CCCC)C)=O |