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4-Hydroxy-5-[hydroxy(4-nitrophenyl)methyl]-2-(4-methoxyphenyl)-6H-1,3-thiazine-6-one
SpectraBase Compound ID Hh06U5zAUqF
InChI InChI=1S/C18H14N2O6S/c1-26-13-8-4-11(5-9-13)17-19-16(22)14(18(23)27-17)15(21)10-2-6-12(7-3-10)20(24)25/h2-9,15,21-22H,1H3
InChIKey HSFGOFBQFGSJTH-UHFFFAOYSA-N
Mol Weight 386.38 g/mol
Molecular Formula C18H14N2O6S
Exact Mass 386.057257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JlwtnoYXmB
Name 4-Hydroxy-5-[hydroxy(4-nitrophenyl)methyl]-2-(4-methoxyphenyl)-6H-1,3-thiazine-6-one
Appearance Pale yellow crystals
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Exact Mass 386.057257347 u
Formula C18H14N2O6S
InChI InChI=1S/C18H14N2O6S/c1-26-13-8-4-11(5-9-13)17-19-16(22)14(18(23)27-17)15(21)10-2-6-12(7-3-10)20(24)25/h2-9,15,21-22H,1H3
InChIKey HSFGOFBQFGSJTH-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 386.378 g/mol
Quality 76
SMILES OC1=C(C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(SC(=N1)C1=CC=C(C=C1)OC)=O
SPLASH splash10-00lr-0928000000-d2c99e185ac9ae15a53b
Source of Spectrum Y-52-1623-6 (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.33 (chloroform/methanol/AcOH, 8:1:1)
Wiley ID 1902587