| SpectraBase Spectrum ID |
CA5o4cg8Gns |
| Name |
Succinic acid, 1-(2-fluorophenyl)ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.142387315 u |
| Formula |
C16H21FO4 |
| InChI |
InChI=1S/C16H21FO4/c1-11(2)10-20-15(18)8-9-16(19)21-12(3)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey |
WEPADLQLFJDXNZ-UHFFFAOYSA-N |
| Molecular Weight |
296.338 g/mol |
| SMILES |
C(CCC(OC(C1=CC=CC=C1F)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931148 |
