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Methyl trans-{1-[N-Benzyl-N-(chloroacetyl)aminomethyl]-1(E)-propenyl}-9-methyl-1,2,3,4,tetrahydrocarbazole-4-carboxylate
SpectraBase Compound ID LGLNzElQKRm
InChI InChI=1S/C28H31ClN2O3/c1-4-20(18-31(25(32)16-29)17-19-10-6-5-7-11-19)21-14-15-24-26(27(21)28(33)34-3)22-12-8-9-13-23(22)30(24)2/h4-13,21,27H,14-18H2,1-3H3/b20-4+/t21-,27-/m0/s1
InChIKey GQCOHNYESBXYGE-DRJYKYASSA-N
Mol Weight 479.02 g/mol
Molecular Formula C28H31ClN2O3
Exact Mass 478.202321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSY6rEFAbqp
Name Methyl trans-{1-[N-Benzyl-N-(chloroacetyl)aminomethyl]-1(E)-propenyl}-9-methyl-1,2,3,4,tetrahydrocarbazole-4-carboxylate
Alternate Name(s) Methyl (3R,4S)-3-((1Z)-1-{[benzyl(chloroacetyl)amino]methyl}-1-propenyl)-9-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Methyl trans-3-{1-[N-Benzyl-N-(chloroacetyl)aminomethyl]-1(E)-propenyl}-9-methyl-1,2,3,4,tetrahydrocarbazole-4-carboxylate
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Formula C28H31ClN2O3
InChI InChI=1S/C28H31ClN2O3/c1-4-20(18-31(25(32)16-29)17-19-10-6-5-7-11-19)21-14-15-24-26(27(21)28(33)34-3)22-12-8-9-13-23(22)30(24)2/h4-13,21,27H,14-18H2,1-3H3/b20-4+/t21-,27-/m0/s1
InChIKey GQCOHNYESBXYGE-DRJYKYASSA-N
Molecular Weight 479.020 g/mol
SMILES c12c([n](C)c3c2cccc3)CC[C@]([C@@]1(C(=O)OC)[H])(\C(CN(C(=O)CCl)Cc1ccccc1)=C\C)[H]
SPLASH splash10-03di-0090300000-5e41a2cd54a1d460a054
Source of Spectrum H1-43-1964-3
Wiley ID 757965