| SpectraBase Compound ID | Ig3edb69Vmj |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-6-9-10-11-12-15-25-19(22)21(7-2,8-3)20(23)26-17-14-18(4)13-16-24-5/h18H,6-17H2,1-5H3 |
| InChIKey | UJNURMSCZMKUMR-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RFTMMyFME4 |
|---|---|
| Name | Diethylmalonic acid, heptyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-6-9-10-11-12-15-25-19(22)21(7-2,8-3)20(23)26-17-14-18(4)13-16-24-5/h18H,6-17H2,1-5H3 |
| InChIKey | UJNURMSCZMKUMR-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OCCC(CCOC)C)=O |