| SpectraBase Spectrum ID |
BDUFApfLpQk |
| Name |
Carbonic acid, 2,2,2-trichloroethyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.993027376 u |
| Formula |
C8H13Cl3O3 |
| InChI |
InChI=1S/C8H13Cl3O3/c1-7(2,3)4-13-6(12)14-5-8(9,10)11/h4-5H2,1-3H3 |
| InChIKey |
DGZGZIOPBXWWDS-UHFFFAOYSA-N |
| Molecular Weight |
263.548 g/mol |
| SMILES |
CC(C)(C)COC(OCC(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898176 |
