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(3E)-3-[(benzylamino)methylene]thiochroman-2,4-quinone
SpectraBase Compound ID 5GRqXLOHURl
InChI InChI=1S/C17H13NO2S/c19-16-13-8-4-5-9-15(13)21-17(20)14(16)11-18-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2/b14-11+
InChIKey CPQOUWCPEOZXHG-SDNWHVSQSA-N
Mol Weight 295.36 g/mol
Molecular Formula C17H13NO2S
Exact Mass 295.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkilRsNaIH
Name (3E)-3-[(benzylamino)methylene]thiochroman-2,4-quinone
Alternate Name(s) (3E)-3-[(benzylamino)methylene]thiochromane-2,4-dione (3E)-3-[(benzylamino)methylidene]thiochromene-2,4-dione (3E)-3-[[(phenylmethyl)amino]methylidene]-1-benzothiopyran-2,4-dione (3E)-3-[[(phenylmethyl)amino]methylidene]thiochromene-2,4-dione
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Formula C17H13NO2S
InChI InChI=1S/C17H13NO2S/c19-16-13-8-4-5-9-15(13)21-17(20)14(16)11-18-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2/b14-11+
InChIKey CPQOUWCPEOZXHG-SDNWHVSQSA-N
Molecular Weight 295.356 g/mol
SMILES N(\C=C\1C(Sc2c(C1=O)cccc2)=O)Cc1ccccc1
SPLASH splash10-0f6w-5190000000-26db172b0dfd4da2ae08
Source of Spectrum MZ-34-2057-12
Wiley ID 1582322