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2-[(Z)-4-bromanylbut-2-enyl]-4-methyl-1,4-benzothiazin-3-one
SpectraBase Compound ID IQkY0ey08fy
InChI InChI=1S/C13H14BrNOS/c1-15-10-6-2-3-7-11(10)17-12(13(15)16)8-4-5-9-14/h2-7,12H,8-9H2,1H3/b5-4-
InChIKey YEDJJDVXBUXUEJ-PLNGDYQASA-N
Mol Weight 312.23 g/mol
Molecular Formula C13H14BrNOS
Exact Mass 310.997948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLH7bSYmxH7
Name 2-[(Z)-4-bromanylbut-2-enyl]-4-methyl-1,4-benzothiazin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H14BrNOS
InChI InChI=1S/C13H14BrNOS/c1-15-10-6-2-3-7-11(10)17-12(13(15)16)8-4-5-9-14/h2-7,12H,8-9H2,1H3/b5-4-
InChIKey YEDJJDVXBUXUEJ-PLNGDYQASA-N
Molecular Weight 312.225 g/mol
SMILES C1(N(c2c(SC1C\C=C/CBr)cccc2)C)=O
SPLASH splash10-001i-0090000000-d24d0ae7ddada453e1f1
Source of Spectrum E1-46-149-2
Synonyms 2-[(Z)-4-bromobut-2-enyl]-4-methyl-1,4-benzothiazin-3-one
Wiley ID 1554181