| SpectraBase Compound ID | A4CGUyfs45E |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-2-3-4-10-16-23-19(21)13-8-9-14-20(22)24-17-15-18-11-6-5-7-12-18/h5-7,11-12H,2-4,8-10,13-17H2,1H3 |
| InChIKey | BHSOBWVQIROIIP-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 | 39bs84Dgqhu |
|---|---|
| Name | Adipic acid, hexyl 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/c1-2-3-4-10-16-23-19(21)13-8-9-14-20(22)24-17-15-18-11-6-5-7-12-18/h5-7,11-12H,2-4,8-10,13-17H2,1H3 |
| InChIKey | BHSOBWVQIROIIP-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(=O)(CCCCC(OCCCCCC)=O)OCCC1=CC=CC=C1 |