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3,3-Dimethyl-2,2-diphenyl-4-isopropyliden-thietane

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

3,3-Dimethyl-2,2-diphenyl-4-isopropyliden-thietane
SpectraBase Compound ID CXzHu89OBZ3
InChI InChI=1S/C20H22S/c1-15(2)18-19(3,4)20(21-18,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,1-4H3
InChIKey FHBPJTBBYGXQHF-UHFFFAOYSA-N
Mol Weight 294.46 g/mol
Molecular Formula C20H22S
Exact Mass 294.144222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EkLzQoafQn8
Name 3,3-Dimethyl-2,2-diphenyl-4-isopropyliden-thietane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.144221882 u
Formula C20H22S
InChI InChI=1S/C20H22S/c1-15(2)18-19(3,4)20(21-18,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,1-4H3
InChIKey FHBPJTBBYGXQHF-UHFFFAOYSA-N
SMILES C1(SC(C1(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822545