| SpectraBase Compound ID | JqBnKr73JWu |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c15-10-6-1-2-7-11-17-14(16)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | ULKUCCFGBAKOHQ-UHFFFAOYSA-N |
| Mol Weight | 254.76 g/mol |
| Molecular Formula | C14H19ClO2 |
| Exact Mass | 254.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oTCaV8GzZu |
|---|---|
| Name | Phenylacetic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.107357550 u |
| Formula | C14H19ClO2 |
| InChI | InChI=1S/C14H19ClO2/c15-10-6-1-2-7-11-17-14(16)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2 |
| InChIKey | ULKUCCFGBAKOHQ-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | C1=CC=CC=C1CC(=O)OCCCCCCCl |