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Benzoic acid, 4-(trifluoroacetylthio)-

View entire compound with spectra: 1 FTIR

Benzoic acid, 4-(trifluoroacetylthio)-
SpectraBase Compound ID G8ElvR0ytUU
InChI InChI=1S/C9H5F3O3S/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14)
InChIKey UVIXKYOEXFKQIB-UHFFFAOYSA-N
Mol Weight 250.19 g/mol
Molecular Formula C9H5F3O3S
Exact Mass 249.99115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2NazOHD0AWB
Name Benzoic acid, 4-(trifluoroacetylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.991149681 u
Formula C9H5F3O3S
InChI InChI=1S/C9H5F3O3S/c10-9(11,12)8(15)16-6-3-1-5(2-4-6)7(13)14/h1-4H,(H,13,14)
InChIKey UVIXKYOEXFKQIB-UHFFFAOYSA-N
Molecular Weight 250.191 g/mol
SMILES C1=CC(=CC=C1C(=O)O)SC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884136