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N-(3,3-dichloro-1-(4-methoxyphenyl)propyl)-4-(methylthio)aniline
SpectraBase Compound ID GHXyIrMUnh7
InChI InChI=1S/C17H19Cl2NOS/c1-21-14-7-3-12(4-8-14)16(11-17(18)19)20-13-5-9-15(22-2)10-6-13/h3-10,16-17,20H,11H2,1-2H3
InChIKey INXULIAOMPCRAX-UHFFFAOYSA-N
Mol Weight 356.31 g/mol
Molecular Formula C17H19Cl2NOS
Exact Mass 355.056441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72xBMpRNjzR
Name N-(3,3-dichloro-1-(4-methoxyphenyl)propyl)-4-(methylthio)aniline
Appearance Colorless oil
Carrier Gas Nitrogen
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Exact Mass 355.056440809 u
Formula C17H19Cl2NOS
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C17H19Cl2NOS/c1-21-14-7-3-12(4-8-14)16(11-17(18)19)20-13-5-9-15(22-2)10-6-13/h3-10,16-17,20H,11H2,1-2H3
InChIKey INXULIAOMPCRAX-UHFFFAOYSA-N
Instrument Name Shimadzu 2014
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203079
Molecular Weight 356.311 g/mol
Quality 66
Reported Formula C17H19Cl2NOS
SMILES N(C(CC(Cl)Cl)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)SC
SPLASH splash10-001i-0191000000-2ce35dbad78e4494099e
Source of Spectrum QE-29-SM3-4e (DOI: 10.1002/chem.202203079)
Wiley ID 1909397