| SpectraBase Spectrum ID |
46htKMrCXM4 |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 3,5-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.998648719 u |
| Formula |
C13H11Cl2F3O4 |
| InChI |
InChI=1S/C13H11Cl2F3O4/c1-7(13(16,17)18)21-11(19)2-3-12(20)22-10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3 |
| InChIKey |
IROSLMLLIUVTBK-UHFFFAOYSA-N |
| Molecular Weight |
359.128 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC1=CC(=CC(=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83725 |
