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4'-Bromo-4-mercaptobiphenyl, S-pentafluoropropionyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4'-Bromo-4-mercaptobiphenyl, S-pentafluoropropionyl-
SpectraBase Compound ID EYliFrSJQO4
InChI InChI=1S/C15H8BrF5OS/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H
InChIKey OYIIJQRKLPSGQX-UHFFFAOYSA-N
Mol Weight 411.18 g/mol
Molecular Formula C15H8BrF5OS
Exact Mass 409.93994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BJGlkbhkLPb
Name 4'-Bromo-4-mercaptobiphenyl, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.939939866 u
Formula C15H8BrF5OS
InChI InChI=1S/C15H8BrF5OS/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H
InChIKey OYIIJQRKLPSGQX-UHFFFAOYSA-N
Molecular Weight 411.184 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829225