| SpectraBase Compound ID | eqymWU6a2m |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-4-5-6-7-10-15-24-19(21)11-8-9-12-20(22)25-17-14-18(2)13-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey | PASFHEXXNXOHAV-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6EHe8JdJ0H |
|---|---|
| Name | Adipic 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 | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-4-5-6-7-10-15-24-19(21)11-8-9-12-20(22)25-17-14-18(2)13-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey | PASFHEXXNXOHAV-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(C(=O)OCCC(CCOC)C)CCCC(OCCCCCCC)=O |