| SpectraBase Spectrum ID |
I57Us6OuW8 |
| Name |
Succinic acid, 3-chlorophenyl 2,3,4-trifluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.021970987 u |
| Formula |
C16H10ClF3O4 |
| InChI |
InChI=1S/C16H10ClF3O4/c17-9-2-1-3-10(8-9)23-13(21)6-7-14(22)24-12-5-4-11(18)15(19)16(12)20/h1-5,8H,6-7H2 |
| InChIKey |
PJZIMHCUERCVBS-UHFFFAOYSA-N |
| Molecular Weight |
358.700 g/mol |
| SMILES |
C(CC(OC1=CC(=CC=C1)Cl)=O)C(OC1=C(C(=C(C=C1)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911803 |
