| SpectraBase Spectrum ID |
GKUUSQFhFik |
| Name |
Isophthalic acid, ethyl pentafluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.057749645 u |
| Formula |
C17H11F5O4 |
| InChI |
InChI=1S/C17H11F5O4/c1-2-25-16(23)8-4-3-5-9(6-8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h3-6H,2,7H2,1H3 |
| InChIKey |
HINCOPCIUMJKMZ-UHFFFAOYSA-N |
| Molecular Weight |
374.263 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920442 |
