| SpectraBase Spectrum ID |
77EVaLQYdCT |
| Name |
3-(4-Hydroxybenzylidene)-1,3-dihydro-2H-indol-2-one, N,o-bis(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.043576748 u |
| Formula |
C19H9F6NO4 |
| InChI |
InChI=1S/C19H9F6NO4/c20-18(21,22)16(28)26-14-4-2-1-3-12(14)13(15(26)27)9-10-5-7-11(8-6-10)30-17(29)19(23,24)25/h1-9H/b13-9+ |
| InChIKey |
ORIJDZDDBQJTGM-UKTHLTGXSA-N |
| Molecular Weight |
429.274 g/mol |
| SMILES |
C1=2N(C(\C(C2C=CC=C1)=C/C1=CC=C(C=C1)OC(C(F)(F)F)=O)=O)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901806 |
