| SpectraBase Spectrum ID |
ELwRBs1ifZk |
| Name |
3-Chloropropionic acid, 4-hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886968 |
