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3-[(4'-Bromoanilino)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID LNKqTJZE84H
InChI InChI=1S/C16H10BrNO2S/c17-10-5-7-11(8-6-10)18-9-13-15(19)12-3-1-2-4-14(12)21-16(13)20/h1-9,18H/b13-9-
InChIKey YCRBYQYTVBYKOD-LCYFTJDESA-N
Mol Weight 360.23 g/mol
Molecular Formula C16H10BrNO2S
Exact Mass 358.961563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEdaoq3L4l3
Name 3-[(4'-Bromoanilino)methylene]-thiochroman-2,4-dione
Alternate Name(s) (3Z)-3-[(4-bromoanilino)methylene]-2H-1-benzothiopyran-2,4(3H)-dione
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Formula C16H10BrNO2S
InChI InChI=1S/C16H10BrNO2S/c17-10-5-7-11(8-6-10)18-9-13-15(19)12-3-1-2-4-14(12)21-16(13)20/h1-9,18H/b13-9-
InChIKey YCRBYQYTVBYKOD-LCYFTJDESA-N
Molecular Weight 360.225 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)c1ccc(cc1)Br
SPLASH splash10-000i-0904000000-5b583a1a8c5fe0aee818
Source of Spectrum MZ-34-2057-9
Wiley ID 1582325