| SpectraBase Spectrum ID |
Crwq9zw9oc2 |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2,2-dichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.004876914 u |
| Formula |
C10H12Cl2F4O4 |
| InChI |
InChI=1S/C10H12Cl2F4O4/c11-6(12)4-19-7(17)2-1-3-8(18)20-5-10(15,16)9(13)14/h6,9H,1-5H2 |
| InChIKey |
MMBIXYGYJQSTHG-UHFFFAOYSA-N |
| Molecular Weight |
343.102 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989903 |
