| SpectraBase Spectrum ID |
2AVciAKqa9f |
| Name |
Succinic acid, 2,2,3,3-tetrafluoropropyl 3-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.028199182 u |
| Formula |
C13H11ClF4O4 |
| InChI |
InChI=1S/C13H11ClF4O4/c14-8-2-1-3-9(6-8)22-11(20)5-4-10(19)21-7-13(17,18)12(15)16/h1-3,6,12H,4-5,7H2 |
| InChIKey |
VMYUTFJYILVOGE-UHFFFAOYSA-N |
| Molecular Weight |
342.674 g/mol |
| SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OC1=CC(=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812608 |
