| SpectraBase Compound ID | HQQ2VQXXi2X |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-2-19-15(17)10-6-7-11-16(18)20-13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3 |
| InChIKey | SIUOLRQROPIBGH-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXRJAP9qJvM |
|---|---|
| Name | Adipic acid, ethyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-2-19-15(17)10-6-7-11-16(18)20-13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3 |
| InChIKey | SIUOLRQROPIBGH-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(=O)(CCCCC(OCC)=O)OCCC1=CC=CC=C1 |