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4-[(N-methylanilino)methyl]-1-benzothiopyran-2-one
SpectraBase Compound ID 1cAomIE0Wxl
InChI InChI=1S/C17H15NOS/c1-18(14-7-3-2-4-8-14)12-13-11-17(19)20-16-10-6-5-9-15(13)16/h2-11H,12H2,1H3
InChIKey FPQUFPAUKFEQNJ-UHFFFAOYSA-N
Mol Weight 281.37 g/mol
Molecular Formula C17H15NOS
Exact Mass 281.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlekR2z34bL
Name 4-[(N-methylanilino)methyl]-1-benzothiopyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H15NOS
InChI InChI=1S/C17H15NOS/c1-18(14-7-3-2-4-8-14)12-13-11-17(19)20-16-10-6-5-9-15(13)16/h2-11H,12H2,1H3
InChIKey FPQUFPAUKFEQNJ-UHFFFAOYSA-N
Molecular Weight 281.373 g/mol
SMILES C1(=CC(=O)Sc2c1cccc2)CN(c1ccccc1)C
SPLASH splash10-001i-0090000000-ac04f087ad69fa5e2986
Source of Spectrum Y-29-137-5
Synonyms 4-[(N-methylanilino)methyl]thiochromen-2-one 4-[[methyl(phenyl)amino]methyl]thiochromen-2-one
Wiley ID 1284963