SpectraBase Spectrum ID |
7LCYq64wS2h |
Name |
2,3-Dihydroindole-2-one, 3-fluoro-3-aminocarbonylethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.080455763 u |
Formula |
C11H11FN2O2 |
InChI |
InChI=1S/C11H11FN2O2/c12-11(6-5-9(13)15)7-3-1-2-4-8(7)14-10(11)16/h1-4H,5-6H2,(H2,13,15)(H,14,16) |
InChIKey |
WJUOERGNTZVRJK-UHFFFAOYSA-N |
Molecular Weight |
222.219 g/mol |
SMILES |
C12=C(C=CC=C2)C(CCC(N)=O)(F)C(N1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89435 |