| SpectraBase Compound ID | 9ErXGiffNdR |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-4-6-10-16-25-20(22)12-8-9-13-21(23)26-18-15-19(11-7-5-2)14-17-24-3/h19H,4-18H2,1-3H3 |
| InChIKey | IBSIZAXZEKBGME-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 | 8Rpmf6SLPcc |
|---|---|
| Name | Adipic acid, 3-(2-methoxyethyl)heptyl pentyl 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/c1-4-6-10-16-25-20(22)12-8-9-13-21(23)26-18-15-19(11-7-5-2)14-17-24-3/h19H,4-18H2,1-3H3 |
| InChIKey | IBSIZAXZEKBGME-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(CCC(=O)OCCC(CCCC)CCOC)CC(OCCCCC)=O |