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4-(1-besylpyrrol-2-yl)-3-keto-butyric acid methyl ester
SpectraBase Compound ID JsxznjKXK0J
InChI InChI=1S/C15H15NO5S/c1-21-15(18)11-13(17)10-12-6-5-9-16(12)22(19,20)14-7-3-2-4-8-14/h2-9H,10-11H2,1H3
InChIKey CDLOKEUPJJXQGY-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZLfCyCkvXp
Name 4-(1-besylpyrrol-2-yl)-3-keto-butyric acid methyl ester
Alternate Name(s) 4-[1-(benzenesulfonyl)-2-pyrrolyl]-3-oxobutanoic acid methyl ester Methyl 3-oxidanylidene-4-[1-(phenylsulfonyl)pyrrol-2-yl]butanoate Methyl 4-[1-(benzenesulfonyl)pyrrol-2-yl]-3-oxo-butanoate
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Formula C15H15NO5S
InChI InChI=1S/C15H15NO5S/c1-21-15(18)11-13(17)10-12-6-5-9-16(12)22(19,20)14-7-3-2-4-8-14/h2-9H,10-11H2,1H3
InChIKey CDLOKEUPJJXQGY-UHFFFAOYSA-N
Molecular Weight 321.347 g/mol
SMILES C(CC(Cc1[n](ccc1)S(=O)(=O)c1ccccc1)=O)(=O)OC
SPLASH splash10-00bc-6941000000-c8f1a98f8bd4df107497
Source of Spectrum E1-40-2350-36
Wiley ID 1519644