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2-(4-Methoxyphenyl)-5-(4-chlorophenyl)-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
SpectraBase Compound ID LPwnOdHKRtz
InChI InChI=1S/C20H14ClNO4S/c1-25-14-8-4-12(5-9-14)19-22-18-17(20(24)27-19)15(10-16(23)26-18)11-2-6-13(21)7-3-11/h2-9,15H,10H2,1H3
InChIKey JOZCQYRJHZNRPD-UHFFFAOYSA-N
Mol Weight 399.85 g/mol
Molecular Formula C20H14ClNO4S
Exact Mass 399.033207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5IkgrhmCQQ
Name 2-(4-Methoxyphenyl)-5-(4-chlorophenyl)-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 399.033206805 u
Formula C20H14ClNO4S
InChI InChI=1S/C20H14ClNO4S/c1-25-14-8-4-12(5-9-14)19-22-18-17(20(24)27-19)15(10-16(23)26-18)11-2-6-13(21)7-3-11/h2-9,15H,10H2,1H3
InChIKey JOZCQYRJHZNRPD-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 399.848 g/mol
SMILES COC1=CC=C(C=C1)C=1SC(C2=C(N1)OC(CC2C1=CC=C(C=C1)Cl)=O)=O
SPLASH splash10-01c1-0449200000-e896b8d2b0628b168bae
Source of Spectrum Y-52-1621-5h (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.77 (methanol/chloroform, 1:9)
Wiley ID 1902576