| SpectraBase Compound ID | LYsYX54jvUG |
|---|---|
| InChI | InChI=1S/C19H37ClO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2)22-19(21)16-17-20/h18H,3-17H2,1-2H3 |
| InChIKey | VTLXGUBSFPPTBY-UHFFFAOYSA-N |
| Mol Weight | 333.0 g/mol |
| Molecular Formula | C19H37ClO2 |
| Exact Mass | 332.248208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xaLICca6E7 |
|---|---|
| Name | 3-Chloropropionic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.248208129 u |
| Formula | C19H37ClO2 |
| InChI | InChI=1S/C19H37ClO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2)22-19(21)16-17-20/h18H,3-17H2,1-2H3 |
| InChIKey | VTLXGUBSFPPTBY-UHFFFAOYSA-N |
| Molecular Weight | 332.956 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(=O)CCCl |