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(2-methyl-3-oxidanylidene-2-phenyl-1H-indol-5-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID KlamCgIrDKQ
InChI InChI=1S/C22H19NO4S/c1-15-8-11-18(12-9-15)28(25,26)27-17-10-13-20-19(14-17)21(24)22(2,23-20)16-6-4-3-5-7-16/h3-14,23H,1-2H3
InChIKey DGGQIJCFOFJCEO-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C22H19NO4S
Exact Mass 393.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cx9e5vBT8p
Name (2-methyl-3-oxidanylidene-2-phenyl-1H-indol-5-yl) 4-methylbenzenesulfonate
Alternate Name(s) (2-methyl-3-oxo-2-phenyl-1H-indol-5-yl) 4-methylbenzenesulfonate (2-methyl-3-oxo-2-phenyl-indolin-5-yl) 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid (2-methyl-3-oxo-2-phenyl-1H-indol-5-yl) ester 4-methylbenzenesulfonic acid (3-keto-2-methyl-2-phenyl-indolin-5-yl) ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H19NO4S
InChI InChI=1S/C22H19NO4S/c1-15-8-11-18(12-9-15)28(25,26)27-17-10-13-20-19(14-17)21(24)22(2,23-20)16-6-4-3-5-7-16/h3-14,23H,1-2H3
InChIKey DGGQIJCFOFJCEO-UHFFFAOYSA-N
Molecular Weight 393.457 g/mol
SMILES N1c2ccc(cc2C(C1(c1ccccc1)C)=O)OS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-000i-0093000000-c1fa228663866b53aae5
Source of Spectrum U1-1999-2409-12
Wiley ID 753736