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(endo)-9,10-Epithio-1.alpha.-[(dimethylamino)acetoxy]-4.alpha.-methoxy-(octahydro)anthracene
SpectraBase Compound ID 76YIZGTkW5l
InChI InChI=1S/C19H25NO3S/c1-20(2)10-15(21)23-14-9-8-13(22-3)16-17(14)19-12-7-5-4-6-11(12)18(16)24-19/h4-7,13-14,16-19H,8-10H2,1-3H3/t13-,14+,16-,17+,18-,19+/m0/s1
InChIKey USVJRYDZFSDNTL-SFGZTYNLSA-N
Mol Weight 347.47 g/mol
Molecular Formula C19H25NO3S
Exact Mass 347.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFoPPypnElo
Name (endo)-9,10-Epithio-1.alpha.-[(dimethylamino)acetoxy]-4.alpha.-methoxy-(octahydro)anthracene
Comments Removed - expert review: contamination (acetone))
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Formula C19H25NO3S
InChI InChI=1S/C19H25NO3S/c1-20(2)10-15(21)23-14-9-8-13(22-3)16-17(14)19-12-7-5-4-6-11(12)18(16)24-19/h4-7,13-14,16-19H,8-10H2,1-3H3/t13-,14+,16-,17+,18-,19+/m0/s1
InChIKey USVJRYDZFSDNTL-SFGZTYNLSA-N
Molecular Weight 347.473 g/mol
SMILES [C@]12([C@@]3(S[C@]([C@]2([C@@](OC)(CC[C@]1(OC(=O)CN(C)C)[H])[H])[H])(c1ccccc31)[H])[H])[H]
SPLASH splash10-0a4i-9000000000-17c87f64787bf6959084
Source of Spectrum D8-324-436-4
Wiley ID 1514094