| SpectraBase Spectrum ID |
DgXG2wwQqlp |
| Name |
(R)-5-Fluoro-3-hydroxy-3-(2-methylallyl)indolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.085206791 u |
| Formula |
C12H12FNO2 |
| InChI |
InChI=1S/C12H12FNO2/c1-7(2)6-12(16)9-5-8(13)3-4-10(9)14-11(12)15/h3-5,16H,1,6H2,2H3,(H,14,15)/t12-/m1/s1 |
| InChIKey |
JQVYTBSTFMTDRF-GFCCVEGCSA-N |
| Molecular Weight |
221.231 g/mol |
| SMILES |
C1(NC2=C([C@@]1(CC(=C)C)O)C=C(C=C2)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922662 |
