| SpectraBase Spectrum ID |
Ltfu79ezD9R |
| Name |
Glutaric acid, 3-chlorophenyl pentafluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.018777313 u |
| Formula |
C17H10ClF5O4 |
| InChI |
InChI=1S/C17H10ClF5O4/c18-8-3-1-4-9(7-8)26-10(24)5-2-6-11(25)27-17-15(22)13(20)12(19)14(21)16(17)23/h1,3-4,7H,2,5-6H2 |
| InChIKey |
CRTXKBDYNKRLNN-UHFFFAOYSA-N |
| Molecular Weight |
408.708 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869256 |
