SpectraBase Spectrum ID |
RYS2ocZ2BJ |
Name |
Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-acetylphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
364.093386262 u |
Formula |
C16H16F4O5 |
InChI |
InChI=1S/C16H16F4O5/c1-10(21)11-5-7-12(8-6-11)25-14(23)4-2-3-13(22)24-9-16(19,20)15(17)18/h5-8,15H,2-4,9H2,1H3 |
InChIKey |
AQMSLCCYGXKPFI-UHFFFAOYSA-N |
Molecular Weight |
364.293 g/mol |
SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896246 |