| SpectraBase Spectrum ID |
7yERuUjWHa7 |
| Name |
Trichloroacetic acid, 2-tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.123313272 u |
| Formula |
C16H29Cl3O2 |
| InChI |
InChI=1S/C16H29Cl3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)21-15(20)16(17,18)19/h14H,3-13H2,1-2H3 |
| InChIKey |
NFJZHEIBRKSMDD-UHFFFAOYSA-N |
| Molecular Weight |
359.765 g/mol |
| SMILES |
C(Cl)(Cl)(C(OC(C)CCCCCCCCCCCC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832273 |
