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Benzoic acid, 2-iodo-4-(trifluoromethyl)-
SpectraBase Compound ID LxNXC1dI03N
InChI InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,(H,13,14)
InChIKey WCLYLTXCKMZNOH-UHFFFAOYSA-N
Mol Weight 316.02 g/mol
Molecular Formula C8H4F3IO2
Exact Mass 315.920809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GEAu4UCXWzH
Name Benzoic acid, 2-iodo-4-(trifluoromethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.920808856 u
Formula C8H4F3IO2
InChI InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,(H,13,14)
InChIKey WCLYLTXCKMZNOH-UHFFFAOYSA-N
Molecular Weight 316.018 g/mol
SMILES C1(I)=C(C=CC(=C1)C(F)(F)F)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947558