| SpectraBase Spectrum ID |
L3cEn6b7caQ |
| Name |
Dichloroacetic acid, 4-pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.177935668 u |
| Formula |
C17H32Cl2O2 |
| InChI |
InChI=1S/C17H32Cl2O2/c1-3-5-6-7-8-9-10-11-12-14-15(13-4-2)21-17(20)16(18)19/h15-16H,3-14H2,1-2H3 |
| InChIKey |
XIVFIWIUPAMHAU-UHFFFAOYSA-N |
| Molecular Weight |
339.347 g/mol |
| SMILES |
CCCC(OC(=O)C(Cl)Cl)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914985 |
