| SpectraBase Compound ID | xodHySnSiy |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-13-9-5-6-10-14(13)20-16(18)12-8-7-11-15(17)19-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | YNELMXBMRFAJHA-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 | LoOu844CN79 |
|---|---|
| Name | Adipic acid, ethyl 2-ethylphenyl 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/c1-3-13-9-5-6-10-14(13)20-16(18)12-8-7-11-15(17)19-4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3 |
| InChIKey | YNELMXBMRFAJHA-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(CCC(OC=1C(CC)=CC=CC1)=O)CC(OCC)=O |