| SpectraBase Spectrum ID |
DpMcnx75q0h |
| Name |
Succinic acid, 2,2,3,3-tetrafluoropropyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.057749645 u |
| Formula |
C13H11F5O4 |
| InChI |
InChI=1S/C13H11F5O4/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 |
SHMVTGBRZYXLHV-UHFFFAOYSA-N |
| Molecular Weight |
326.219 g/mol |
| SMILES |
C(CC(OCC(C(F)F)(F)F)=O)C(OC1=CC=CC(=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911712 |
