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Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]tryptophanate
SpectraBase Compound ID 3CzGCFBTQkA
InChI InChI=1S/C24H30N2O5/c1-3-31-23(29)24(12-7-6-11-21(24)27)13-8-14-25-20(22(28)30-2)15-17-16-26-19-10-5-4-9-18(17)19/h4-5,9-10,14,16,20,26H,3,6-8,11-13,15H2,1-2H3/b25-14+/t20-,24?/m0/s1
InChIKey NXFBDDIVXCCGGW-VIRIMRRQSA-N
Mol Weight 426.51 g/mol
Molecular Formula C24H30N2O5
Exact Mass 426.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iOclbytWgK
Name Methyl N-[3-(1'-ethoxycarbonyl-2'-oxocyclohexyl)propylidene]tryptophanate
Alternate Name(s) Ethyl 1-((3E)-3-{[(E,1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl]imino}propyl)-2-oxocyclohexanecarboxylate
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Formula C24H30N2O5
InChI InChI=1S/C24H30N2O5/c1-3-31-23(29)24(12-7-6-11-21(24)27)13-8-14-25-20(22(28)30-2)15-17-16-26-19-10-5-4-9-18(17)19/h4-5,9-10,14,16,20,26H,3,6-8,11-13,15H2,1-2H3/b25-14+/t20-,24?/m0/s1
InChIKey NXFBDDIVXCCGGW-VIRIMRRQSA-N
Molecular Weight 426.513 g/mol
SMILES [nH]1c2c(c(c1)C[C@@](C(=O)OC)(\N=C\CCC1(C(=O)OCC)C(=O)CCCC1)[H])cccc2
SPLASH splash10-001i-0900000000-c1da43c003f70d195644
Source of Spectrum F-55-8135-2
Wiley ID 838424