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rac-6,6-Dimethyl-5-oxo-3-[2-[3-(N'N'-dimethylaminomethyl)-2-azabicyclo[3.3.0]oct-2-yl]-2-oxoethyl]-N-[(anthracen-9-ylmethyl)-N-methyl]heptanoamide
SpectraBase Compound ID EldYtwVnoSA
InChI InChI=1S/C37H49N3O3/c1-37(2,3)34(41)18-25(20-36(43)40-29(23-38(4)5)22-28-14-11-17-33(28)40)19-35(42)39(6)24-32-30-15-9-7-12-26(30)21-27-13-8-10-16-31(27)32/h7-10,12-13,15-16,21,25,28-29,33H,11,14,17-20,22-24H2,1-6H3/t25?,28-,29+,33-/m1/s1
InChIKey HLUAXMIZPHMQTC-KWYDLJNTSA-N
Mol Weight 583.8 g/mol
Molecular Formula C37H49N3O3
Exact Mass 583.377392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0kU0eQR6Kw
Name rac-6,6-Dimethyl-5-oxo-3-[2-[3-(N'N'-dimethylaminomethyl)-2-azabicyclo[3.3.0]oct-2-yl]-2-oxoethyl]-N-[(anthracen-9-ylmethyl)-N-methyl]heptanoamide
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Formula C37H49N3O3
InChI InChI=1S/C37H49N3O3/c1-37(2,3)34(41)18-25(20-36(43)40-29(23-38(4)5)22-28-14-11-17-33(28)40)19-35(42)39(6)24-32-30-15-9-7-12-26(30)21-27-13-8-10-16-31(27)32/h7-10,12-13,15-16,21,25,28-29,33H,11,14,17-20,22-24H2,1-6H3/t25?,28-,29+,33-/m1/s1
InChIKey HLUAXMIZPHMQTC-KWYDLJNTSA-N
Molecular Weight 583.817 g/mol
SMILES C(N1[C@@](C[C@@]2([C@]1(CCC2)[H])[H])(CN(C)C)[H])(CC(CC(N(Cc1c2c(cccc2)cc2c1cccc2)C)=O)CC(C(C)(C)C)=O)=O
SPLASH splash10-0006-0900100000-972a2b12abfdae0f4bfd
Source of Spectrum F-52-14592-26
Synonyms 3-[(R)-2-((2S,3aR,4R)-2-Dimethylaminomethyl-hexahydro-cyclopenta[b]pyrrol-1-yl)-2-oxo-ethyl]-6,6-dimethyl-5-oxo-heptanoic acid anthracen-9-ylmethyl-methyl-amide
Wiley ID 799666