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1-Phenyl-3-(2,4,6-trimethylphenyl)sulfanyl-propan-1-one

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

1-Phenyl-3-(2,4,6-trimethylphenyl)sulfanyl-propan-1-one
SpectraBase Compound ID 9p76cMY34ci
InChI InChI=1S/C18H20OS/c1-13-11-14(2)18(15(3)12-13)20-10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKey VKUPIQDPPMXYDJ-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ChYEJeToDEp
Name 1-Phenyl-3-[(2,4,6-trimethylphenyl)sulfanyl]propan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.123486437 u
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-13-11-14(2)18(15(3)12-13)20-10-9-17(19)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3
InChIKey VKUPIQDPPMXYDJ-UHFFFAOYSA-N
SMILES C1(=C(C=C(C=C1C)C)C)SCCC(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962628