| SpectraBase Compound ID | 2FjEtpb8QJe |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-7-12-20-15(18)10-8-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3 |
| InChIKey | XSCNOJMTCNMZEE-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 | A9NdtUMLJzE |
|---|---|
| Name | Adipic acid, butyl 2,4-dimethylpent-3-yl 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/c1-6-7-12-20-15(18)10-8-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3 |
| InChIKey | XSCNOJMTCNMZEE-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(CCCCC(OCCCC)=O)=O |