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4,5,6-Trifluoro-1H-indole-2,3-dione
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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