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2,5-Di(4-methoxyphenyl)-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
SpectraBase Compound ID n6FJwXH1fI
InChI InChI=1S/C21H17NO5S/c1-25-14-7-3-12(4-8-14)16-11-17(23)27-19-18(16)21(24)28-20(22-19)13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKey NGKIOLIOKMQMSE-UHFFFAOYSA-N
Mol Weight 395.43 g/mol
Molecular Formula C21H17NO5S
Exact Mass 395.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mMs2EJi6Sz
Name 2,5-Di(4-methoxyphenyl)-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
Appearance Yellow crystals
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Exact Mass 395.082743820 u
Formula C21H17NO5S
InChI InChI=1S/C21H17NO5S/c1-25-14-7-3-12(4-8-14)16-11-17(23)27-19-18(16)21(24)28-20(22-19)13-5-9-15(26-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKey NGKIOLIOKMQMSE-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 395.429 g/mol
Quality 82
SMILES COC1=CC=C(C=C1)C=1SC(C2=C(N1)OC(CC2C1=CC=C(C=C1)OC)=O)=O
SPLASH splash10-02ar-0539000000-140e3c88312227a3dd5e
Source of Spectrum Y-52-1621-5e (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.41 (acetone/hexane, 1:3)
Wiley ID 1902573