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2-(2,3-Diphenyl-4-phenylthio-2-butenyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one
SpectraBase Compound ID DKqp5bmdHZO
InChI InChI=1S/C31H27NOS2/c1-32-28-19-11-12-20-29(28)35-30(31(32)33)21-26(23-13-5-2-6-14-23)27(24-15-7-3-8-16-24)22-34-25-17-9-4-10-18-25/h2-20,30H,21-22H2,1H3/b27-26+
InChIKey PBJUUOFZGUWWEH-CYYJNZCTSA-N
Mol Weight 493.68 g/mol
Molecular Formula C31H27NOS2
Exact Mass 493.153407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uYzrEAL2PM
Name 2-(2,3-Diphenyl-4-phenylthio-2-butenyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one
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Formula C31H27NOS2
InChI InChI=1S/C31H27NOS2/c1-32-28-19-11-12-20-29(28)35-30(31(32)33)21-26(23-13-5-2-6-14-23)27(24-15-7-3-8-16-24)22-34-25-17-9-4-10-18-25/h2-20,30H,21-22H2,1H3/b27-26+
InChIKey PBJUUOFZGUWWEH-CYYJNZCTSA-N
Molecular Weight 493.683 g/mol
SMILES C1(Sc2c(N(C1=O)C)cccc2)C\C(=C\(CSc1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0059-0907000000-8f3c01238ffb32fb8b9d
Source of Spectrum E1-46-152-3
Synonyms 2-[(2Z)-2,3-diphenyl-4-(phenylsulfanyl)-2-butenyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one 2-[(Z)-2,3-diphenyl-4-phenylsulfanylbut-2-enyl]-4-methyl-1,4-benzothiazin-3-one 2-[(Z)-2,3-diphenyl-4-phenylsulfanyl-but-2-enyl]-4-methyl-1,4-benzothiazin-3-one
Wiley ID 1554178