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2-(2,2,2-Trifluoro-1-phenyl-ethylidene)-1,3-dithiane

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

2-(2,2,2-Trifluoro-1-phenyl-ethylidene)-1,3-dithiane
SpectraBase Compound ID EspuFchhQAk
InChI InChI=1S/C12H11F3S2/c13-12(14,15)10(9-5-2-1-3-6-9)11-16-7-4-8-17-11/h1-3,5-6H,4,7-8H2
InChIKey ZPAWLVSBFOXBRZ-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C12H11F3S2
Exact Mass 276.025427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CjfOFfvY2RQ
Name 2-(2,2,2-Trifluoro-1-phenyl-ethylidene)-1,3-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.025427191 u
Formula C12H11F3S2
InChI InChI=1S/C12H11F3S2/c13-12(14,15)10(9-5-2-1-3-6-9)11-16-7-4-8-17-11/h1-3,5-6H,4,7-8H2
InChIKey ZPAWLVSBFOXBRZ-UHFFFAOYSA-N
Molecular Weight 276.335 g/mol
SMILES C1(SCCCS1)=C(C=1C=CC=CC1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915024