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4-methyl-N-[(4-nitrophenyl)-(5-oxidanylidenecyclopenten-1-yl)methyl]benzenesulfonamide
SpectraBase Compound ID I8EL6Iik0oa
InChI InChI=1S/C19H18N2O5S/c1-13-5-11-16(12-6-13)27(25,26)20-19(17-3-2-4-18(17)22)14-7-9-15(10-8-14)21(23)24/h3,5-12,19-20H,2,4H2,1H3
InChIKey HXEWBVGRMLDELB-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C19H18N2O5S
Exact Mass 386.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bmi3RCe89Up
Name 4-methyl-N-[(4-nitrophenyl)-(5-oxidanylidenecyclopenten-1-yl)methyl]benzenesulfonamide
Alternate Name(s) 4-methyl-N-[(4-nitrophenyl)-(5-oxo-1-cyclopentenyl)methyl]benzenesulfonamide 4-methyl-N-[(4-nitrophenyl)-(5-oxocyclopenten-1-yl)methyl]benzenesulfonamide N-[(5-ketocyclopenten-1-yl)-(4-nitrophenyl)methyl]-4-methyl-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C19H18N2O5S
InChI InChI=1S/C19H18N2O5S/c1-13-5-11-16(12-6-13)27(25,26)20-19(17-3-2-4-18(17)22)14-7-9-15(10-8-14)21(23)24/h3,5-12,19-20H,2,4H2,1H3
InChIKey HXEWBVGRMLDELB-UHFFFAOYSA-N
Molecular Weight 386.422 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C=1C(=O)CCC1)c1ccc(N(=O)=O)cc1
SPLASH splash10-001i-0090000000-5a47e116a2ae8cfc0853
Source of Spectrum U1-2002-3676-6
Wiley ID 1523398