| SpectraBase Compound ID | 9ESq8QbFM9J |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-5-7-9-11-13-14-15-16-17-18-20-22-24-26-33-28(31)29(3,4)27(30)32-25-23-21-19-12-10-8-6-2/h5-26H2,1-4H3 |
| InChIKey | ITOHLHOOAJEMFW-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 | BXbugBXikLT |
|---|---|
| Name | Dimethylmalonic acid, nonyl pentadecyl ester |
| 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/c1-5-7-9-11-13-14-15-16-17-18-20-22-24-26-33-28(31)29(3,4)27(30)32-25-23-21-19-12-10-8-6-2/h5-26H2,1-4H3 |
| InChIKey | ITOHLHOOAJEMFW-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCCCCCCCCOC(C(C(=O)OCCCCCCCCCCCCCCC)(C)C)=O |