| SpectraBase Spectrum ID |
4Id9sGGLsPz |
| Name |
Succinic acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.132965446 u |
| Formula |
C16H20F2O4 |
| InChI |
InChI=1S/C16H20F2O4/c1-10(2)9-21-14(19)7-8-15(20)22-11(3)16-12(17)5-4-6-13(16)18/h4-6,10-11H,7-9H2,1-3H3 |
| InChIKey |
UVEKJCXLQQOMPH-UHFFFAOYSA-N |
| Molecular Weight |
314.329 g/mol |
| SMILES |
C(CCC(OC(C1=C(C=CC=C1F)F)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857332 |
