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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

View entire compound with spectra: 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZsDkDjhUoj
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
Alternate Name(s) methyl (3R,4S)-3-[(1Z)-1-({benzyl[2,2-bis(methylsulfanyl)ethyl]amino}methyl)-1-propenyl]-9-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c12c([n](C)c3c2cccc3)CC[C@]([C@@]1(C(=O)OC)[H])(\C(CN(CC(SC)SC)Cc1ccccc1)=C\C)[H]
SPLASH splash10-014i-0000900000-7e9c85cd17e7417b24fc
Source of Spectrum F-55-3125-12
Wiley ID 837087