SpectraBase Compound ID | GteA7JWnh6l |
---|---|
InChI | InChI=1S/C8H2F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1H,(H,12,13,14) |
InChIKey | QWDKZDRPORBMKV-UHFFFAOYSA-N |
Mol Weight | 201.1 g/mol |
Molecular Formula | C8H2F3NO2 |
Exact Mass | 201.003763 g/mol |
SpectraBase Spectrum ID | BiUabu98A31 |
---|---|
Name | 4,5,6-Trifluoro-1H-indole-2,3-dione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 201.003762795 u |
Formula | C8H2F3NO2 |
InChI | InChI=1S/C8H2F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1H,(H,12,13,14) |
InChIKey | QWDKZDRPORBMKV-UHFFFAOYSA-N |
Molecular Weight | 201.104 g/mol |
SMILES | C12=C(C(F)=C(C=C2NC(C1=O)=O)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928562 |