| SpectraBase Spectrum ID |
6Wf5a7Q1jz |
| Name |
1,3-Dioxo-alpha-fluoro-2-isoindolinecrotonic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.075036029 u |
| Formula |
C14H12FNO4 |
| InChI |
InChI=1S/C14H12FNO4/c1-2-20-14(19)11(15)7-8-16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,2,8H2,1H3 |
| InChIKey |
BQEMWQBRVMVXCY-UHFFFAOYSA-N |
| Molecular Weight |
277.251 g/mol |
| SMILES |
C1=CC=CC2=C1C(=O)N(C2=O)CC=C(F)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) |
0.973538 |
