| SpectraBase Spectrum ID |
JvykrVNFalO |
| Name |
3-Chloropropionic acid, 3-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.216908001 u |
| Formula |
C17H33ClO2 |
| InChI |
InChI=1S/C17H33ClO2/c1-3-5-6-7-8-9-10-11-12-13-16(4-2)20-17(19)14-15-18/h16H,3-15H2,1-2H3 |
| InChIKey |
DSXDEMRZVSOUEA-UHFFFAOYSA-N |
| Molecular Weight |
304.902 g/mol |
| SMILES |
C(Cl)CC(=O)OC(CC)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910216 |
