SpectraBase Spectrum ID |
6xOhdnm1gsu |
Name |
1H-Indole-2,3-dione, 1-acetyl-5-fluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
207.033171217 u |
Formula |
C10H6FNO3 |
InChI |
InChI=1S/C10H6FNO3/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(12)15/h2-4H,1H3 |
InChIKey |
KHUUKCCKZAARAY-UHFFFAOYSA-N |
Molecular Weight |
207.160 g/mol |
SMILES |
C12=C(C=CC(=C2)F)N(C(C)=O)C(C1=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899116 |