| SpectraBase Compound ID | 6UuTma7ImYV |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-17(2)9-8-15-23-19(21)12-6-7-13-20(22)24-16-14-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-16H2,1-2H3 |
| InChIKey | OXTKRXOHCRWXER-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rca901DduT |
|---|---|
| Name | Adipic acid, isohexyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-17(2)9-8-15-23-19(21)12-6-7-13-20(22)24-16-14-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-16H2,1-2H3 |
| InChIKey | OXTKRXOHCRWXER-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C(=O)OCCC1=CC=CC=C1)CCCC(OCCCC(C)C)=O |