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1-[2-(Benzyloxy)ethyl]-3-ethyl-3-[2-(2-indolyl)-2,2-(propylenedisulfafanyl)ethyl)piperidin-2-one
SpectraBase Compound ID CE4hKMWLe4u
InChI InChI=1S/C29H36N2O2S2/c1-2-28(14-8-15-31(27(28)32)16-17-33-21-23-10-4-3-5-11-23)22-29(34-18-9-19-35-29)26-20-24-12-6-7-13-25(24)30-26/h3-7,10-13,20,30H,2,8-9,14-19,21-22H2,1H3
InChIKey IKYDTZAEEPDZIZ-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C29H36N2O2S2
Exact Mass 508.221821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5oC7QI4sRg
Name 1-[2-(Benzyloxy)ethyl]-3-ethyl-3-[2-(2-indolyl)-2,2-(propylenedisulfafanyl)ethyl)piperidin-2-one
Comments Computed using HOSE algorithm
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Exact Mass 508.221820753 u
Formula C29H36N2O2S2
InChI InChI=1S/C29H36N2O2S2/c1-2-28(14-8-15-31(27(28)32)16-17-33-21-23-10-4-3-5-11-23)22-29(34-18-9-19-35-29)26-20-24-12-6-7-13-25(24)30-26/h3-7,10-13,20,30H,2,8-9,14-19,21-22H2,1H3
InChIKey IKYDTZAEEPDZIZ-UHFFFAOYSA-N
Molecular Weight 508.739 g/mol
SMILES C=1(C2(CC3(C(N(CCOCC=4C=CC=CC4)CCC3)=O)CC)SCCCS2)NC=2C=CC=CC2C1