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[5-[1-chloranyl-2,2-bis(methylsulfanyl)ethenyl]-1-methyl-pyrrol-2-yl]-(4-methylphenyl)methanone
SpectraBase Compound ID AI0LLFvUheN
InChI InChI=1S/C17H18ClNOS2/c1-11-5-7-12(8-6-11)16(20)14-10-9-13(19(14)2)15(18)17(21-3)22-4/h5-10H,1-4H3
InChIKey OAGYEUULEILTRU-UHFFFAOYSA-N
Mol Weight 351.91 g/mol
Molecular Formula C17H18ClNOS2
Exact Mass 351.051834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7c47egadEtN
Name [5-[1-chloranyl-2,2-bis(methylsulfanyl)ethenyl]-1-methyl-pyrrol-2-yl]-(4-methylphenyl)methanone
CAS Registry Number 85380-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClNOS2
InChI InChI=1S/C17H18ClNOS2/c1-11-5-7-12(8-6-11)16(20)14-10-9-13(19(14)2)15(18)17(21-3)22-4/h5-10H,1-4H3
InChIKey OAGYEUULEILTRU-UHFFFAOYSA-N
Molecular Weight 351.910 g/mol
SMILES c1([n](c(C(c2ccc(cc2)C)=O)cc1)C)C(=C(SC)SC)Cl
SPLASH splash10-014i-1902000000-77d65487eb66d5596d5c
Source of Spectrum Y-19-1495-0
Synonyms [5-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]-1-methylpyrrol-2-yl]-(4-methylphenyl)methanone [5-[1-chloro-2,2-bis(methylsulfanyl)vinyl]-1-methyl-pyrrol-2-yl]-(p-tolyl)methanone [5-[1-chloro-2,2-bis(methylthio)ethenyl]-1-methyl-2-pyrrolyl]-(4-methylphenyl)methanone [5-[1-chloro-2,2-bis(methylthio)vinyl]-1-methyl-pyrrol-2-yl]-(p-tolyl)methanone
Wiley ID 1342501