| SpectraBase Spectrum ID |
DKqdkuXuF3f |
| Name |
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.071842355 u |
| Formula |
C16H12F3NO4 |
| InChI |
InChI=1S/C16H12F3NO4/c1-23-10-4-2-3-9(7-10)15(22)12-8-11(24-16(17,18)19)5-6-13(12)20-14(15)21/h2-8,22H,1H3,(H,20,21) |
| InChIKey |
HEINAAUFNDXFSS-UHFFFAOYSA-N |
| Molecular Weight |
339.270 g/mol |
| SMILES |
C1=2C=CC(=CC2C(C(N1)=O)(O)C=1C=C(C=CC1)OC)OC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845339 |
