| SpectraBase Compound ID | 3W9PObJ4Du5 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-2-3-4-8-12-19-15(17)16(18)20-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | DOLNOIUUVDYNKR-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 | 2jgi3Kw22JP |
|---|---|
| Name | Oxalic acid, hexyl 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/c1-2-3-4-8-12-19-15(17)16(18)20-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3 |
| InChIKey | DOLNOIUUVDYNKR-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OCCC1=CC=CC=C1)(C(OCCCCCC)=O)=O |