| SpectraBase Spectrum ID |
L5e9LqDjq5G |
| Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl phenethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.114121708 u |
| Formula |
C16H18F4O4 |
| InChI |
InChI=1S/C16H18F4O4/c17-15(18)16(19,20)11-24-14(22)8-4-7-13(21)23-10-9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2 |
| InChIKey |
IVLGMOSBMZPFFR-UHFFFAOYSA-N |
| Molecular Weight |
350.310 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886375 |
