| SpectraBase Compound ID | 5Idt1gOVA3Z |
|---|---|
| InChI | InChI=1S/C17H33ClO2/c1-3-5-6-7-8-9-10-11-13-16(12-4-2)20-17(19)14-15-18/h16H,3-15H2,1-2H3 |
| InChIKey | CEDZNXYXBOMQGO-UHFFFAOYSA-N |
| Mol Weight | 304.9 g/mol |
| Molecular Formula | C17H33ClO2 |
| Exact Mass | 304.216908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AegNKrmTNj |
|---|---|
| Name | 3-Chloropropionic acid, 4-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.216908001 u |
| Formula | C17H33ClO2 |
| InChI | InChI=1S/C17H33ClO2/c1-3-5-6-7-8-9-10-11-13-16(12-4-2)20-17(19)14-15-18/h16H,3-15H2,1-2H3 |
| InChIKey | CEDZNXYXBOMQGO-UHFFFAOYSA-N |
| Molecular Weight | 304.902 g/mol |
| SMILES | C(Cl)CC(=O)OC(CCC)CCCCCCCCCC |