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4'-Bromo-4-mercaptobiphenyl, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

4'-Bromo-4-mercaptobiphenyl, S-heptafluorobutyryl-
SpectraBase Compound ID I0YHCuCaOye
InChI InChI=1S/C16H8BrF7OS/c17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26-13(25)14(18,19)15(20,21)16(22,23)24/h1-8H
InChIKey WUNXQEGXVNBASY-UHFFFAOYSA-N
Mol Weight 461.19 g/mol
Molecular Formula C16H8BrF7OS
Exact Mass 459.936746 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KrRoW2RJgmd
Name 4'-Bromo-4-mercaptobiphenyl, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.936746192 u
Formula C16H8BrF7OS
InChI InChI=1S/C16H8BrF7OS/c17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26-13(25)14(18,19)15(20,21)16(22,23)24/h1-8H
InChIKey WUNXQEGXVNBASY-UHFFFAOYSA-N
Molecular Weight 461.192 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942834