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Methyl trans-3-{1-(N-benzyl-N-(2,2-bis(methylsulfanyl)ethyl)aminomethyl)-1(E)-propenyl}-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate

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Methyl trans-3-{1-(N-benzyl-N-(2,2-bis(methylsulfanyl)ethyl)aminomethyl)-1(E)-propenyl}-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate
SpectraBase Compound ID 5v0q2QL1Zzo
InChI InChI=1S/C30H38N2O2S2/c1-6-22(19-32(20-27(35-4)36-5)18-21-12-8-7-9-13-21)23-16-17-26-28(29(23)30(33)34-3)24-14-10-11-15-25(24)31(26)2/h6-15,23,27,29H,16-20H2,1-5H3/b22-6+/t23-,29-/m0/s1
InChIKey DZBCSGUDLUBHMT-DFYAOTLZSA-N
Mol Weight 522.8 g/mol
Molecular Formula C30H38N2O2S2
Exact Mass 522.237471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPzeBBeQXDy
Name Methyl trans-3-{1-(N-benzyl-N-(2,2-bis(methylsulfanyl)ethyl)aminomethyl)-1(E)-propenyl}-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.237470818 u
Formula C30H38N2O2S2
InChI InChI=1S/C30H38N2O2S2/c1-6-22(19-32(20-27(35-4)36-5)18-21-12-8-7-9-13-21)23-16-17-26-28(29(23)30(33)34-3)24-14-10-11-15-25(24)31(26)2/h6-15,23,27,29H,16-20H2,1-5H3/b22-6+/t23-,29-/m0/s1
InChIKey DZBCSGUDLUBHMT-DFYAOTLZSA-N
Molecular Weight 522.766 g/mol
SMILES C12=C(N(C)C=3C2=CC=CC3)CC[C@]([C@@]1(C(=O)OC)[H])(\C(CN(CC(SC)SC)CC=1C=CC=CC1)=C\C)[H]