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Benzyl mercaptan, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

Benzyl mercaptan, S-heptafluorobutyryl-
SpectraBase Compound ID 9wPlHROM2CK
InChI InChI=1S/C11H7F7OS/c12-9(13,10(14,15)11(16,17)18)8(19)20-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey UKRMIYIGVHNUNG-UHFFFAOYSA-N
Mol Weight 320.22 g/mol
Molecular Formula C11H7F7OS
Exact Mass 320.010583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CvNcak4TZUn
Name Benzyl mercaptan, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.010583159 u
Formula C11H7F7OS
InChI InChI=1S/C11H7F7OS/c12-9(13,10(14,15)11(16,17)18)8(19)20-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey UKRMIYIGVHNUNG-UHFFFAOYSA-N
Molecular Weight 320.225 g/mol
SMILES C(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962104