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N-(ethoxycarbonylmethyl)-N-(ethoxycarbonylmethyloxycarbonyl)lysergamine
SpectraBase Compound ID BgWuGX10jj4
InChI InChI=1S/C25H31N3O6/c1-4-32-22(29)14-28(25(31)34-15-23(30)33-5-2)13-16-9-19-18-7-6-8-20-24(18)17(11-26-20)10-21(19)27(3)12-16/h6-9,11,16,21,26H,4-5,10,12-15H2,1-3H3/t16-,21-/m1/s1
InChIKey QWMYJCNLCZVATG-IIBYNOLFSA-N
Mol Weight 469.54 g/mol
Molecular Formula C25H31N3O6
Exact Mass 469.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8u9SdOZfSj1
Name N-(ethoxycarbonylmethyl)-N-(ethoxycarbonylmethyloxycarbonyl)lysergamine
Alternate Name(s) Ethyl 2-(((2-ethoxy-2-oxoethoxy)carbonyl)(((6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)amino)acetate
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Formula C25H31N3O6
InChI InChI=1S/C25H31N3O6/c1-4-32-22(29)14-28(25(31)34-15-23(30)33-5-2)13-16-9-19-18-7-6-8-20-24(18)17(11-26-20)10-21(19)27(3)12-16/h6-9,11,16,21,26H,4-5,10,12-15H2,1-3H3/t16-,21-/m1/s1
InChIKey QWMYJCNLCZVATG-IIBYNOLFSA-N
Molecular Weight 469.538 g/mol
SMILES [nH]1cc2c3c1cccc3C=1[C@@](C2)(N(C[C@@](C1)(CN(C(OCC(=O)OCC)=O)CC(=O)OCC)[H])C)[H]
SPLASH splash10-0uki-0390200000-8dea678d214935161fc3
Source of Spectrum EMC-34-116-a
Wiley ID 1734528