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4-Tert-butyl-2-methylthiophenol, S-pentafluoropropionyl-

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

4-Tert-butyl-2-methylthiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID CUXCceMQ9ey
InChI InChI=1S/C14H15F5OS/c1-8-7-9(12(2,3)4)5-6-10(8)21-11(20)13(15,16)14(17,18)19/h5-7H,1-4H3
InChIKey ZFPFPFRBCQXALE-UHFFFAOYSA-N
Mol Weight 326.33 g/mol
Molecular Formula C14H15F5OS
Exact Mass 326.076377 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BWbyvctliOl
Name 4-Tert-butyl-2-methylthiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.076377091 u
Formula C14H15F5OS
InChI InChI=1S/C14H15F5OS/c1-8-7-9(12(2,3)4)5-6-10(8)21-11(20)13(15,16)14(17,18)19/h5-7H,1-4H3
InChIKey ZFPFPFRBCQXALE-UHFFFAOYSA-N
Molecular Weight 326.325 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=C(C=C1)C(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861601