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5-(2'-Hydroxybenzoyl)-1-methyl-2-methylthio-3-nitropyrrole
SpectraBase Compound ID 2OhPLx6rLf0
InChI InChI=1S/C13H12N2O4S/c1-14-9(7-10(15(18)19)13(14)20-2)12(17)8-5-3-4-6-11(8)16/h3-7,16H,1-2H3
InChIKey NLWGNGNDJSETKK-UHFFFAOYSA-N
Mol Weight 292.31 g/mol
Molecular Formula C13H12N2O4S
Exact Mass 292.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKrZrBErrae
Name 5-(2'-Hydroxybenzoyl)-1-methyl-2-methylthio-3-nitropyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O4S
InChI InChI=1S/C13H12N2O4S/c1-14-9(7-10(15(18)19)13(14)20-2)12(17)8-5-3-4-6-11(8)16/h3-7,16H,1-2H3
InChIKey NLWGNGNDJSETKK-UHFFFAOYSA-N
Molecular Weight 292.309 g/mol
SMILES Oc1c(C(c2cc(c([n]2C)SC)N(=O)=O)=O)cccc1
SPLASH splash10-00di-1910000000-36c485b7cff3c10f475d
Source of Spectrum Y1-34-640-3
Synonyms (2-hydroxyphenyl)[1-methyl-5-(methylsulfanyl)-4-nitro-1H-pyrrol-2-yl]methanone 5-(2'-Hydroxybenzoyl)-1-methyl-2-thiomethyl-3-nitropyrrole
Wiley ID 1526531