| SpectraBase Compound ID | I9TJLehcHmU |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-6-9-12-20-16(18)10-7-8-11-17(19)21-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | QSRBWCVZZAOQDC-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5H7qOiERKvj |
|---|---|
| Name | Adipic acid, 4-methylpent-2-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-6-9-12-20-16(18)10-7-8-11-17(19)21-15(4)13-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | QSRBWCVZZAOQDC-UHFFFAOYSA-N |
| SMILES | C(C(OC(C)CC(C)C)=O)CCCC(OCCCCC)=O |