| SpectraBase Spectrum ID |
449idtFc3T5 |
| Name |
Dichloroacetic acid, 4-hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.193585733 u |
| Formula |
C18H34Cl2O2 |
| InChI |
InChI=1S/C18H34Cl2O2/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)22-18(21)17(19)20/h16-17H,3-15H2,1-2H3 |
| InChIKey |
IUOFKWRPPVWNAM-UHFFFAOYSA-N |
| Molecular Weight |
353.374 g/mol |
| SMILES |
C(CCCCCCCC)CCCC(CCC)OC(C(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877279 |
