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Diethyl 1-(1,3-benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-2,3-dicarboxylate
SpectraBase Compound ID 3t15uqgDB5b
InChI InChI=1S/C18H18N2O6S/c1-4-25-16(22)12-13(17(23)26-5-2)20(15(21)14(12)24-3)18-19-10-8-6-7-9-11(10)27-18/h6-9,13H,4-5H2,1-3H3
InChIKey WTVXKJCMROIIGF-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H18N2O6S
Exact Mass 390.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mmaPFfZgtJ
Name Diethyl 1-(1,3-benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-2,3-dicarboxylate
Comments Removed - expert review: contamination (DOP)
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Formula C18H18N2O6S
InChI InChI=1S/C18H18N2O6S/c1-4-25-16(22)12-13(17(23)26-5-2)20(15(21)14(12)24-3)18-19-10-8-6-7-9-11(10)27-18/h6-9,13H,4-5H2,1-3H3
InChIKey WTVXKJCMROIIGF-UHFFFAOYSA-N
Molecular Weight 390.410 g/mol
SMILES c1(N2C(C(OC)=C(C2C(=O)OCC)C(=O)OCC)=O)nc2ccccc2s1
SPLASH splash10-0007-9400000000-4e25d6012c6e9eeff9da
Source of Spectrum Y-51-1794-5b
Synonyms Diethyl 1-(benzo[d]thiazol-2-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Wiley ID 1741677