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Methyl trans-3-{1-[N-Benzyloxycarbonyl-N-(2-phenylsulfanylethyl)aminomethyl]-1(E)-propenyl}-1,2,3,4-terahydrocarbazole-4-carboxylate
SpectraBase Compound ID F9Jki2ChzAv
InChI InChI=1S/C34H36N2O4S/c1-3-25(27-18-19-30-31(32(27)33(37)39-2)28-16-10-11-17-29(28)35-30)22-36(20-21-41-26-14-8-5-9-15-26)34(38)40-23-24-12-6-4-7-13-24/h3-17,27,32,35H,18-23H2,1-2H3/b25-3-/t27-,32-/m1/s1
InChIKey UKWBOVZHOCGFMT-IIPBUUGNSA-N
Mol Weight 568.7 g/mol
Molecular Formula C34H36N2O4S
Exact Mass 568.239579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rQf6TH6D0
Name Methyl trans-3-{1-[N-Benzyloxycarbonyl-N-(2-phenylsulfanylethyl)aminomethyl]-1(E)-propenyl}-1,2,3,4-terahydrocarbazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N2O4S
InChI InChI=1S/C34H36N2O4S/c1-3-25(27-18-19-30-31(32(27)33(37)39-2)28-16-10-11-17-29(28)35-30)22-36(20-21-41-26-14-8-5-9-15-26)34(38)40-23-24-12-6-4-7-13-24/h3-17,27,32,35H,18-23H2,1-2H3/b25-3-/t27-,32-/m1/s1
InChIKey UKWBOVZHOCGFMT-IIPBUUGNSA-N
Molecular Weight 568.732 g/mol
SMILES [nH]1c2c(c3c1CC[C@@]([C@]3(C(=O)OC)[H])(\C(CN(C(OCc1ccccc1)=O)CCSc1ccccc1)=C/C)[H])cccc2
SPLASH splash10-0002-9000000000-3ceb9a44cf2e3af65a3e
Source of Spectrum F-55-3122-4
Wiley ID 837093