| SpectraBase Compound ID | 8TedkRNRGmo |
|---|---|
| InChI | InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | MSKKOMBBMSJAAY-UHFFFAOYSA-N |
| Mol Weight | 324.89 g/mol |
| Molecular Formula | C19H29ClO2 |
| Exact Mass | 324.185608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWucGMukhBS |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.185607872 u |
| Formula | C19H29ClO2 |
| InChI | InChI=1S/C19H29ClO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)16-17-11-13-18(20)14-12-17/h11-14H,2-10,15-16H2,1H3 |
| InChIKey | MSKKOMBBMSJAAY-UHFFFAOYSA-N |
| Molecular Weight | 324.892 g/mol |
| SMILES | C(OCCCCCCCCCCC)(CC1=CC=C(C=C1)Cl)=O |