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1,1-Bis(methylthio)-6-(4-methoxyphenyl)-1,3,5-heptatrienal

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

1,1-Bis(methylthio)-6-(4-methoxyphenyl)-1,3,5-heptatrienal
SpectraBase Compound ID GAlb0HrPkNu
InChI InChI=1S/C16H18O2S2/c1-18-15-10-8-13(9-11-15)14(12-17)6-4-5-7-16(19-2)20-3/h4-12H,1-3H3/b5-4+,14-6+
InChIKey XXRCLKMFPFVXNN-GQLYJEGOSA-N
Mol Weight 306.44 g/mol
Molecular Formula C16H18O2S2
Exact Mass 306.074822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GqOo6HWs21U
Name 1,1-bis(Methylthio)-6-(4-methoxyphenyl)-1,3,5-heptatrienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.074822166 u
Formula C16H18O2S2
InChI InChI=1S/C16H18O2S2/c1-18-15-10-8-13(9-11-15)14(12-17)6-4-5-7-16(19-2)20-3/h4-12H,1-3H3/b5-4+,14-6+
InChIKey XXRCLKMFPFVXNN-GQLYJEGOSA-N
Molecular Weight 306.438 g/mol
SMILES C(=C\C=C\C=C\(C1=CC=C(C=C1)OC)C=O)(SC)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944417