| SpectraBase Compound ID | DLxBOod0eK1 |
|---|---|
| InChI | InChI=1S/C16H23ClO2/c1-2-3-4-5-6-7-12-19-16(18)13-14-8-10-15(17)11-9-14/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | KXKWBFXGXVAMQO-UHFFFAOYSA-N |
| Mol Weight | 282.81 g/mol |
| Molecular Formula | C16H23ClO2 |
| Exact Mass | 282.138658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ceCYuO00X2 |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.138657679 u |
| Formula | C16H23ClO2 |
| InChI | InChI=1S/C16H23ClO2/c1-2-3-4-5-6-7-12-19-16(18)13-14-8-10-15(17)11-9-14/h8-11H,2-7,12-13H2,1H3 |
| InChIKey | KXKWBFXGXVAMQO-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O |