| SpectraBase Spectrum ID |
3G8Fk1BS0FY |
| Name |
(+)-dimethyl 2-(3-fluorophenyl)succinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.079787058 u |
| Formula |
C12H13FO4 |
| InChI |
InChI=1S/C12H13FO4/c1-16-11(14)7-10(12(15)17-2)8-4-3-5-9(13)6-8/h3-6,10H,7H2,1-2H3 |
| InChIKey |
AZARGVZBKPIZIP-UHFFFAOYSA-N |
| Molecular Weight |
240.230 g/mol |
| SMILES |
C(OC)(C(C1=CC(=CC=C1)F)CC(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910935 |
