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5-Butyl-2-(2-methylsulfanylethyl)-4-(p-tolylsulfonyl)-1H-pyrrol-3-ol
SpectraBase Compound ID 4Qj2sHOyuCg
InChI InChI=1S/C18H25NO3S2/c1-4-5-6-16-18(17(20)15(19-16)11-12-23-3)24(21,22)14-9-7-13(2)8-10-14/h7-10,19-20H,4-6,11-12H2,1-3H3
InChIKey XAFNUCZONOLAIG-UHFFFAOYSA-N
Mol Weight 367.52 g/mol
Molecular Formula C18H25NO3S2
Exact Mass 367.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBswpE5Pwlu
Name 5-Butyl-2-(2-methylsulfanylethyl)-4-(p-tolylsulfonyl)-1H-pyrrol-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3S2
InChI InChI=1S/C18H25NO3S2/c1-4-5-6-16-18(17(20)15(19-16)11-12-23-3)24(21,22)14-9-7-13(2)8-10-14/h7-10,19-20H,4-6,11-12H2,1-3H3
InChIKey XAFNUCZONOLAIG-UHFFFAOYSA-N
Molecular Weight 367.522 g/mol
SMILES [nH]1c(c(c(c1CCSC)O)S(=O)(=O)c1ccc(cc1)C)CCCC
SPLASH splash10-03di-9054000000-f0e3ac47f41005a9baac
Source of Spectrum J-65-4548-7
Synonyms 5-Butyl-2-[2-(methylthio)ethyl]-4-tosyl-1H-pyrrol-3-ol 5-Butyl-4-(4-methylphenyl)sulfonyl-2-[2-(methylthio)ethyl]-1H-pyrrol-3-ol
Wiley ID 1532737