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2-[4-Acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-2-methyl-2,3-dihydro-pyran-4-one
SpectraBase Compound ID 4v2dgVtUlKC
InChI InChI=1S/C19H19NO5S/c1-13-4-6-17(7-5-13)26(23,24)20-12-15(14(2)21)10-18(20)19(3)11-16(22)8-9-25-19/h4-10,12H,11H2,1-3H3
InChIKey DQNJAASQQPFQOD-UHFFFAOYSA-N
Mol Weight 373.42 g/mol
Molecular Formula C19H19NO5S
Exact Mass 373.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ho2KgXhNr1P
Name 2-[4-Acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-2-methyl-2,3-dihydro-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO5S
InChI InChI=1S/C19H19NO5S/c1-13-4-6-17(7-5-13)26(23,24)20-12-15(14(2)21)10-18(20)19(3)11-16(22)8-9-25-19/h4-10,12H,11H2,1-3H3
InChIKey DQNJAASQQPFQOD-UHFFFAOYSA-N
Molecular Weight 373.423 g/mol
SMILES C1(CC(C=CO1)=O)(C)c1[n](cc(c1)C(=O)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9411000000-4ee0fca735eda3c6dfc7
Source of Spectrum KC-61-7913-19
Synonyms 2-{4-acetyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl}-2-methyl-2,3-dihydro-4H-pyran-4-one
Wiley ID 1630170