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2-(3-Chloro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole
SpectraBase Compound ID aDWHnMXMCT
InChI InChI=1S/C17H14ClNO2S/c1-13-7-9-16(10-8-13)22(20,21)19-11-3-6-17(19)14-4-2-5-15(18)12-14/h2-12H,1H3
InChIKey WGFGVRGQLXOROH-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C17H14ClNO2S
Exact Mass 331.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w9vAaiwMg8
Name 2-(3-Chloro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole
Alternate Name(s) 2-(3-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole N-(3'-Chlorophenyl)-N-tosylpyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C17H14ClNO2S
InChI InChI=1S/C17H14ClNO2S/c1-13-7-9-16(10-8-13)22(20,21)19-11-3-6-17(19)14-4-2-5-15(18)12-14/h2-12H,1H3
InChIKey WGFGVRGQLXOROH-UHFFFAOYSA-N
Molecular Weight 331.817 g/mol
SMILES c1([n](S(c2ccc(cc2)C)(=O)=O)ccc1)-c1cc(Cl)ccc1
SPLASH splash10-0059-0905000000-de4b20868f5f3cbbffbb
Source of Spectrum D1-2003-1995-3
Wiley ID 1548406