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Benzyl mercaptan, S-pentafluoropropionyl-

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

Benzyl mercaptan, S-pentafluoropropionyl-
SpectraBase Compound ID EWkr6qBEQe8
InChI InChI=1S/C10H7F5OS/c11-9(12,10(13,14)15)8(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey LTBWBZIXWFQYEM-UHFFFAOYSA-N
Mol Weight 270.22 g/mol
Molecular Formula C10H7F5OS
Exact Mass 270.013777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AMTZZP2S5w6
Name Benzyl mercaptan, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.013776833 u
Formula C10H7F5OS
InChI InChI=1S/C10H7F5OS/c11-9(12,10(13,14)15)8(16)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey LTBWBZIXWFQYEM-UHFFFAOYSA-N
Molecular Weight 270.217 g/mol
SMILES C(SC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946697