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2-(t-Butylsulfanyl)-3-(2',4'-dichlorophenyl)-propanal

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

2-(t-Butylsulfanyl)-3-(2',4'-dichlorophenyl)-propanal
SpectraBase Compound ID 17yXPgm3rgp
InChI InChI=1S/C13H16Cl2OS/c1-13(2,3)17-11(8-16)6-9-4-5-10(14)7-12(9)15/h4-5,7-8,11H,6H2,1-3H3
InChIKey MHJWHMBGZVVOAJ-UHFFFAOYSA-N
Mol Weight 291.24 g/mol
Molecular Formula C13H16Cl2OS
Exact Mass 290.029892 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EHcsUHAOfrg
Name 2-(T-Butylsulfanyl)-3-(2',4'-dichlorophenyl)-propanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.029891708 u
Formula C13H16Cl2OS
InChI InChI=1S/C13H16Cl2OS/c1-13(2,3)17-11(8-16)6-9-4-5-10(14)7-12(9)15/h4-5,7-8,11H,6H2,1-3H3
InChIKey MHJWHMBGZVVOAJ-UHFFFAOYSA-N
SMILES C=1(C(CC(SC(C)(C)C)C=O)=CC=C(C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884635