| SpectraBase Spectrum ID |
Ayy2mhwSpGP |
| Name |
Adipic 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 |
334.101665317 u |
| Formula |
C18H16F2O4 |
| InChI |
InChI=1S/C18H16F2O4/c19-13-5-3-7-15(11-13)23-17(21)9-1-2-10-18(22)24-16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2 |
| InChIKey |
YTGPVGNBPQPBPD-UHFFFAOYSA-N |
| Molecular Weight |
334.319 g/mol |
| SMILES |
C1(=CC(=CC=C1)F)OC(=O)CCCCC(OC1=CC=CC(=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849062 |
