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3,3-bis(Ethylsulfanyl)-1-phenyl-prop-2-en-1-one

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

3,3-bis(Ethylsulfanyl)-1-phenyl-prop-2-en-1-one
SpectraBase Compound ID HOTiql4PSSu
InChI InChI=1S/C13H16OS2/c1-3-15-13(16-4-2)10-12(14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey YHXJMRGJLWQPDP-UHFFFAOYSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7XuZv8qYTHp
Name 3,3-bis(Ethylsulfanyl)-1-phenyl-prop-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.064257482 u
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c1-3-15-13(16-4-2)10-12(14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey YHXJMRGJLWQPDP-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES C(=C(SCC)SCC)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953545