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1-Phenyl-3-(2,4,6-trimethylphenyl)sulfinyl-1-propanone

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

1-Phenyl-3-(2,4,6-trimethylphenyl)sulfinyl-1-propanone
SpectraBase Compound ID 5hR133Xd4kZ
InChI InChI=1S/C18H20O2S/c1-13-11-14(2)18(15(3)12-13)21(20)10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKey FSJFKISSYDPUSI-UHFFFAOYSA-N
Mol Weight 300.42 g/mol
Molecular Formula C18H20O2S
Exact Mass 300.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jta9dgxYpYf
Name 1-Phenyl-3-(2,4,6-trimethylphenyl)sulfinyl-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.118401056 u
Formula C18H20O2S
InChI InChI=1S/C18H20O2S/c1-13-11-14(2)18(15(3)12-13)21(20)10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKey FSJFKISSYDPUSI-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CC1C)C)C)S(CCC(=O)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943306