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4-Bromothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID DJL5VwdOlls
InChI InChI=1S/C10H4BrF7OS/c11-5-1-3-6(4-2-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey BLCQDAWKVOUEPP-UHFFFAOYSA-N
Mol Weight 385.09 g/mol
Molecular Formula C10H4BrF7OS
Exact Mass 383.905446 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J50dZCDRR4s
Name 4-Bromothiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.905446063 u
Formula C10H4BrF7OS
InChI InChI=1S/C10H4BrF7OS/c11-5-1-3-6(4-2-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey BLCQDAWKVOUEPP-UHFFFAOYSA-N
Molecular Weight 385.094 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938793