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Methyl trans-3-{1-[N-Benzyloxycarbonyl-N-(2-phenylsulfinylethyl)aminomethyl]-1(E)-propenyl}-1,2,3,4-terahydrocarbazole-4-carboxylate
SpectraBase Compound ID 4DZ6UARQOC4
InChI InChI=1S/C34H36N2O5S/c1-3-25(27-18-19-30-31(32(27)33(37)40-2)28-16-10-11-17-29(28)35-30)22-36(20-21-42(39)26-14-8-5-9-15-26)34(38)41-23-24-12-6-4-7-13-24/h3-17,27,32,35H,18-23H2,1-2H3/b25-3+/t27-,32-,42?/m0/s1
InChIKey DCSFTZURHQGUMO-SZWMDNJJSA-N
Mol Weight 584.7 g/mol
Molecular Formula C34H36N2O5S
Exact Mass 584.234493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkDSAcgplPx
Name Methyl trans-3-{1-[N-Benzyloxycarbonyl-N-(2-phenylsulfinylethyl)aminomethyl]-1(E)-propenyl}-1,2,3,4-terahydrocarbazole-4-carboxylate
Alternate Name(s) Methyl (3R,4S)-3-[(1Z)-1-({[(benzyloxy)carbonyl][2-(phenylsulfinyl)ethyl]amino}methyl)-1-propenyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate
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Formula C34H36N2O5S
InChI InChI=1S/C34H36N2O5S/c1-3-25(27-18-19-30-31(32(27)33(37)40-2)28-16-10-11-17-29(28)35-30)22-36(20-21-42(39)26-14-8-5-9-15-26)34(38)41-23-24-12-6-4-7-13-24/h3-17,27,32,35H,18-23H2,1-2H3/b25-3+/t27-,32-,42?/m0/s1
InChIKey DCSFTZURHQGUMO-SZWMDNJJSA-N
Molecular Weight 584.731 g/mol
SMILES [nH]1c2c(c3c1CC[C@]([C@@]3(C(=O)OC)[H])(\C(CN(C(OCc1ccccc1)=O)CCS(=O)c1ccccc1)=C\C)[H])cccc2
SPLASH splash10-001r-0000190000-47e72c9ba18e2698255e
Source of Spectrum F-55-3123-5
Wiley ID 837091