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(3S,4Z)-9-tert-Butoxycarbonyl-8-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-3,7-dimethyl-2,3-dihydrodipyrrin-1(10)-thione
SpectraBase Compound ID GbXDrXnzgRh
InChI InChI=1S/C23H32N2O6S/c1-13-14(8-9-18(26)29-6)20(21(28)31-22(2,3)4)24-15(13)10-16-23(5,11-17(32)25-16)12-19(27)30-7/h10,24H,8-9,11-12H2,1-7H3,(H,25,32)/b16-10-/t23-/m0/s1
InChIKey XHKMGVXEYFCGKO-OTTRSHQESA-N
Mol Weight 464.6 g/mol
Molecular Formula C23H32N2O6S
Exact Mass 464.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMw17WxE6ng
Name (3S,4Z)-9-tert-Butoxycarbonyl-8-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-3,7-dimethyl-2,3-dihydrodipyrrin-1(10)-thione
Comments Less than 3 mono-isotopic peaks
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Formula C23H32N2O6S
InChI InChI=1S/C23H32N2O6S/c1-13-14(8-9-18(26)29-6)20(21(28)31-22(2,3)4)24-15(13)10-16-23(5,11-17(32)25-16)12-19(27)30-7/h10,24H,8-9,11-12H2,1-7H3,(H,25,32)/b16-10-/t23-/m0/s1
InChIKey XHKMGVXEYFCGKO-OTTRSHQESA-N
Molecular Weight 464.577 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C[C@]1(CC(=O)OC)C)=S)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-0000900000-7e949f11a75e1bf8c5eb
Source of Spectrum KC-0-2105-32
Synonyms tert-butyl 5-{(Z)-[(3R)-3-(2-methoxy-2-oxoethyl)-3-methyl-5-thioxopyrrolidinylidene]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 822962