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Ethyl 2-(2-cyclohexen-1-yl)-2-(phenylthio)-3,3,3-trifluoropropionate

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

Ethyl 2-(2-cyclohexen-1-yl)-2-(phenylthio)-3,3,3-trifluoropropionate
SpectraBase Compound ID IMbBTEWvpmh
InChI InChI=1S/C17H19F3O2S/c1-2-22-15(21)16(17(18,19)20,13-9-5-3-6-10-13)23-14-11-7-4-8-12-14/h4-5,7-9,11-13H,2-3,6,10H2,1H3
InChIKey HHHFQQMJEWSVLJ-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C17H19F3O2S
Exact Mass 344.105786 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DId5HK4Za9p
Name Ethyl 2-(2-cyclohexen-1-yl)-2-(phenylthio)-3,3,3-trifluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.105785513 u
Formula C17H19F3O2S
InChI InChI=1S/C17H19F3O2S/c1-2-22-15(21)16(17(18,19)20,13-9-5-3-6-10-13)23-14-11-7-4-8-12-14/h4-5,7-9,11-13H,2-3,6,10H2,1H3
InChIKey HHHFQQMJEWSVLJ-UHFFFAOYSA-N
Molecular Weight 344.392 g/mol
SMILES C(C(F)(F)F)(C(=O)OCC)(SC=1C=CC=CC1)C1C=CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895607