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Methyl trans-3-[1-(N-Benzyl-N-(2-phenylsulfinylethyl)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-phenylsulfinylethyl)aminomethyl)-1(E)-propenyl}-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate
SpectraBase Compound ID 71tNtrMvWah
InChI InChI=1S/C34H38N2O3S/c1-4-26(24-36(23-25-13-7-5-8-14-25)21-22-40(38)27-15-9-6-10-16-27)28-19-20-31-32(33(28)34(37)39-3)29-17-11-12-18-30(29)35(31)2/h4-18,28,33H,19-24H2,1-3H3/b26-4+/t28-,33-,40?/m0/s1
InChIKey PLKDLJOQZZGTLU-OSVQRPCQSA-N
Mol Weight 554.7 g/mol
Molecular Formula C34H38N2O3S
Exact Mass 554.260314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJV70sNcaKn
Name Methyl trans-3-[1-(N-Benzyl-N-(2-phenylsulfinylethyl)aminomethyl)-1(E)-propenyl}-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate
Alternate Name(s) methyl (3R,4S)-3-[(1Z)-1-({benzyl[2-(phenylsulfinyl)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 C34H38N2O3S
InChI InChI=1S/C34H38N2O3S/c1-4-26(24-36(23-25-13-7-5-8-14-25)21-22-40(38)27-15-9-6-10-16-27)28-19-20-31-32(33(28)34(37)39-3)29-17-11-12-18-30(29)35(31)2/h4-18,28,33H,19-24H2,1-3H3/b26-4+/t28-,33-,40?/m0/s1
InChIKey PLKDLJOQZZGTLU-OSVQRPCQSA-N
Molecular Weight 554.749 g/mol
SMILES c12c([n](C)c3c2cccc3)CC[C@]([C@@]1(C(=O)OC)[H])(\C(CN(CCS(=O)c1ccccc1)Cc1ccccc1)=C\C)[H]
SPLASH splash10-004i-0000940000-256d1458c5bf3f7af5bd
Source of Spectrum F-55-3125-11
Wiley ID 837088