| SpectraBase Compound ID | AgDuW0iwg73 |
|---|---|
| InChI | InChI=1S/C29H56O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-34-29(31)27-32-26-28(30)33-24-22-20-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | SFGWXUOZJYZXHA-UHFFFAOYSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C29H56O5 |
| Exact Mass | 484.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5Gsb8n7Inr |
|---|---|
| Name | Diglycolic acid, heptyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.412774898 u |
| Formula | C29H56O5 |
| InChI | InChI=1S/C29H56O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-34-29(31)27-32-26-28(30)33-24-22-20-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | SFGWXUOZJYZXHA-UHFFFAOYSA-N |
| Molecular Weight | 484.762 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCC |