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N-[(4-bromophenyl)-(5-ketocyclopenten-1-yl)methyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID I3CBGmJC4q4
InChI InChI=1S/C19H18BrNO3S/c1-13-5-11-16(12-6-13)25(23,24)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h3,5-12,19,21H,2,4H2,1H3
InChIKey NEGXAIPWPDJIDX-UHFFFAOYSA-N
Mol Weight 420.32 g/mol
Molecular Formula C19H18BrNO3S
Exact Mass 419.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGKRUNCS2uv
Name N-[(4-bromophenyl)-(5-ketocyclopenten-1-yl)methyl]-4-methyl-benzenesulfonamide
Alternate Name(s) N-[(4-bromophenyl)-(5-oxidanylidenecyclopenten-1-yl)methyl]-4-methyl-benzenesulfonamide N-[(4-bromophenyl)-(5-oxo-1-cyclopentenyl)methyl]-4-methylbenzenesulfonamide N-[(4-bromophenyl)-(5-oxocyclopenten-1-yl)methyl]-4-methyl-benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C19H18BrNO3S
InChI InChI=1S/C19H18BrNO3S/c1-13-5-11-16(12-6-13)25(23,24)21-19(17-3-2-4-18(17)22)14-7-9-15(20)10-8-14/h3,5-12,19,21H,2,4H2,1H3
InChIKey NEGXAIPWPDJIDX-UHFFFAOYSA-N
Molecular Weight 420.321 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C=1C(=O)CCC1)c1ccc(cc1)Br
SPLASH splash10-03xr-0090000000-2edc9753ca2108e5bc53
Source of Spectrum U1-2002-3676-6
Wiley ID 1523399