| SpectraBase Compound ID | JAebWZTrRMe |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-4-6-8-10-12-14-18-22-26-32-29(31)25-21-17-16-20-24-28(33-27(3)30)23-19-15-13-11-9-7-5-2/h28H,4-26H2,1-3H3 |
| InChIKey | YMCCHIJHISBTQJ-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tzzp036u0i |
|---|---|
| Name | Decyl 8-acetoxyheptadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-4-6-8-10-12-14-18-22-26-32-29(31)25-21-17-16-20-24-28(33-27(3)30)23-19-15-13-11-9-7-5-2/h28H,4-26H2,1-3H3 |
| InChIKey | YMCCHIJHISBTQJ-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCCCCCCCCC(OC(C)=O)CCCCCCC(OCCCCCCCCCC)=O |