| SpectraBase Compound ID | E907kFB1JPH |
|---|---|
| InChI | InChI=1S/C21H41ClO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | XTQZSUCQERUSLW-UHFFFAOYSA-N |
| Mol Weight | 361.0 g/mol |
| Molecular Formula | C21H41ClO2 |
| Exact Mass | 360.279508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UFqZ5XZjcq |
|---|---|
| Name | 5-Chlorovaleric acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.279508258 u |
| Formula | C21H41ClO2 |
| InChI | InChI=1S/C21H41ClO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | XTQZSUCQERUSLW-UHFFFAOYSA-N |
| Molecular Weight | 361.010 g/mol |
| SMILES | C(OC(CCCCCCCCCCCC)CCC)(=O)CCCCCl |