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(4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)-2-[3,4-(methylenedioxy)benzyl]propyl]-4-methyl-5-phenyl-2-oxazolidenone
SpectraBase Compound ID 8nTrU9xB91A
InChI InChI=1S/C25H25NO5S2/c1-16-23(18-6-3-2-4-7-18)31-25(28)26(16)24(27)19(14-22-32-10-5-11-33-22)12-17-8-9-20-21(13-17)30-15-29-20/h2-4,6-9,13-14,16,19,23H,5,10-12,15H2,1H3/t16-,19?,23-/m1/s1
InChIKey URFNXIDWKCRKSS-QGOLQEDSSA-N
Mol Weight 483.6 g/mol
Molecular Formula C25H25NO5S2
Exact Mass 483.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrzCkyqcp0G
Name (4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)-2-[3,4-(methylenedioxy)benzyl]propyl]-4-methyl-5-phenyl-2-oxazolidenone
Alternate Name(s) (4R,5S)-3-[3-(1,3-benzodioxol-5-yl)-2-(1,3-dithian-2-ylidenemethyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
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Formula C25H25NO5S2
InChI InChI=1S/C25H25NO5S2/c1-16-23(18-6-3-2-4-7-18)31-25(28)26(16)24(27)19(14-22-32-10-5-11-33-22)12-17-8-9-20-21(13-17)30-15-29-20/h2-4,6-9,13-14,16,19,23H,5,10-12,15H2,1H3/t16-,19?,23-/m1/s1
InChIKey URFNXIDWKCRKSS-QGOLQEDSSA-N
Molecular Weight 483.597 g/mol
SMILES C1(N([C@@]([C@@](O1)(c1ccccc1)[H])(C)[H])C(C(C=C1SCCCS1)Cc1cc2OCOc2cc1)=O)=O
SPLASH splash10-000j-0907000000-1a95560e0ea8c361b54a
Source of Spectrum J-58-2733-20
Wiley ID 1395810