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4-Aminothiophenol, N,S-di(pentafluoropropionyl)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Aminothiophenol, N,S-di(pentafluoropropionyl)-
SpectraBase Compound ID al6zreKNIQ
InChI InChI=1S/C12H5F10NO2S/c13-9(14,11(17,18)19)7(24)23-5-1-3-6(4-2-5)26-8(25)10(15,16)12(20,21)22/h1-4H,(H,23,24)
InChIKey OTQDEXIGGZPENW-UHFFFAOYSA-N
Mol Weight 417.22 g/mol
Molecular Formula C12H5F10NO2S
Exact Mass 416.988131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K2PgHdBPHwo
Name 4-Aminothiophenol, N,S-di(pentafluoropropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.988131207 u
Formula C12H5F10NO2S
InChI InChI=1S/C12H5F10NO2S/c13-9(14,11(17,18)19)7(24)23-5-1-3-6(4-2-5)26-8(25)10(15,16)12(20,21)22/h1-4H,(H,23,24)
InChIKey OTQDEXIGGZPENW-UHFFFAOYSA-N
Molecular Weight 417.221 g/mol
SMILES C1(=CC=C(C=C1)NC(C(C(F)(F)F)(F)F)=O)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869037