| SpectraBase Spectrum ID |
LeM5srSANEX |
| Name |
Glutaric acid, di(3-fluorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.086015253 u |
| Formula |
C17H14F2O4 |
| InChI |
InChI=1S/C17H14F2O4/c18-12-4-1-6-14(10-12)22-16(20)8-3-9-17(21)23-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2 |
| InChIKey |
VRDCLTDCFLVVNE-UHFFFAOYSA-N |
| Molecular Weight |
320.292 g/mol |
| SMILES |
C1=CC=C(C=C1F)OC(CCCC(OC1=CC=CC(=C1)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924076 |
