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3-[(3-Methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolylmethyl)-3-buten-2-one
SpectraBase Compound ID CcCnoSOOCBh
InChI InChI=1S/C20H21NO3S/c1-15(16(2)22)13-20(3)14-21(19-12-8-7-11-18(19)20)25(23,24)17-9-5-4-6-10-17/h4-12H,1,13-14H2,2-3H3
InChIKey PWRBSPSLIXVCMY-UHFFFAOYSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwKszl1dW3G
Name 3-[(3-Methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolylmethyl)-3-buten-2-one
Alternate Name(s) 3-[[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]methyl]-3-buten-2-one 3-[[1-(benzenesulfonyl)-3-methyl-2H-indol-3-yl]methyl]but-3-en-2-one 3-[[1-(benzenesulfonyl)-3-methyl-indolin-3-yl]methyl]but-3-en-2-one 3-[[3-methyl-1-(phenylsulfonyl)-2H-indol-3-yl]methyl]but-3-en-2-one
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Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-15(16(2)22)13-20(3)14-21(19-12-8-7-11-18(19)20)25(23,24)17-9-5-4-6-10-17/h4-12H,1,13-14H2,2-3H3
InChIKey PWRBSPSLIXVCMY-UHFFFAOYSA-N
Molecular Weight 355.452 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(CC(C(=O)C)=C)C
SPLASH splash10-0089-5962000000-2133137149a608148e2a
Source of Spectrum KC-57-1366-4
Wiley ID 1622900