| SpectraBase Compound ID | EcORBlYg8rF |
|---|---|
| InChI | InChI=1S/C22H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)19-20-14-16-21(23)17-15-20/h14-17H,2-13,18-19H2,1H3 |
| InChIKey | ZWJLYXLUVWPANK-UHFFFAOYSA-N |
| Mol Weight | 367.0 g/mol |
| Molecular Formula | C22H35ClO2 |
| Exact Mass | 366.232558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5blS4EeAOg |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.232558065 u |
| Formula | C22H35ClO2 |
| InChI | InChI=1S/C22H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)19-20-14-16-21(23)17-15-20/h14-17H,2-13,18-19H2,1H3 |
| InChIKey | ZWJLYXLUVWPANK-UHFFFAOYSA-N |
| Molecular Weight | 366.973 g/mol |
| SMILES | C(OCCCCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O |