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4H-1-Benzothiopyran-4-one, 3-(phenylamino)-, 1,1-dioxide
SpectraBase Compound ID C9GkTA9ikTu
InChI InChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-14(12)20(18,19)10-13(15)16-11-6-2-1-3-7-11/h1-10,16H
InChIKey PIYPUNNIHSFXGK-UHFFFAOYSA-N
Mol Weight 285.32 g/mol
Molecular Formula C15H11NO3S
Exact Mass 285.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOOs8oWznja
Name 4H-1-Benzothiopyran-4-one, 3-(phenylamino)-, 1,1-dioxide
Alternate Name(s) 3-anilino-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-anilino-1-benzothiopyran-4-one 1,1-dioxide
CAS Registry Number 116884-85-6
Comments Less than 3 mono-isotopic peaks
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Formula C15H11NO3S
InChI InChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-14(12)20(18,19)10-13(15)16-11-6-2-1-3-7-11/h1-10,16H
InChIKey PIYPUNNIHSFXGK-UHFFFAOYSA-N
Molecular Weight 285.317 g/mol
SMILES N(C1=CS(c2c(C1=O)cccc2)(=O)=O)c1ccccc1
SPLASH splash10-0079-0090000000-ec90116b84dc64ea7300
Source of Spectrum KC-1988-1834-6
Wiley ID 1288846