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1,3-Oxathiolan-5-one, 2-ethyl-4,4-diphenyl-

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

1,3-Oxathiolan-5-one, 2-ethyl-4,4-diphenyl-
SpectraBase Compound ID L5oFNoRqMxP
InChI InChI=1S/C17H16O2S/c1-2-15-19-16(18)17(20-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey PYWKSGVHAJEYMA-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7YTCeMT0IGh
Name 1,3-Oxathiolan-5-one, 2-ethyl-4,4-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.087100927 u
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c1-2-15-19-16(18)17(20-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey PYWKSGVHAJEYMA-UHFFFAOYSA-N
SMILES C1(=O)C(SC(O1)CC)(C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893211