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2-(4-Methoxyphenyl)-5-(4-methylphenyl)-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
SpectraBase Compound ID 4RY2KaaDcED
InChI InChI=1S/C21H17NO4S/c1-12-3-5-13(6-4-12)16-11-17(23)26-19-18(16)21(24)27-20(22-19)14-7-9-15(25-2)10-8-14/h3-10,16H,11H2,1-2H3
InChIKey XXPOAQNUTZATKH-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H17NO4S
Exact Mass 379.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuPFljelSzt
Name 2-(4-Methoxyphenyl)-5-(4-methylphenyl)-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
Appearance Pale yellow crystals
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Exact Mass 379.087829201 u
Formula C21H17NO4S
InChI InChI=1S/C21H17NO4S/c1-12-3-5-13(6-4-12)16-11-17(23)26-19-18(16)21(24)27-20(22-19)14-7-9-15(25-2)10-8-14/h3-10,16H,11H2,1-2H3
InChIKey XXPOAQNUTZATKH-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 379.430 g/mol
Quality 83
SMILES COC1=CC=C(C=C1)C=1SC(C2=C(N1)OC(CC2C1=CC=C(C=C1)C)=O)=O
SPLASH splash10-0ff1-0439000000-77761509d5efe0ae90d7
Source of Spectrum Y-52-1621-5f (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.39 (acetone/hexane, 1:3)
Wiley ID 1902574