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2-[(cis-1-Benzyl-3-ethyl-4-piperidyl)methyl]-1-(tert-butoxycarbonyl)indole
SpectraBase Compound ID CYM2sKI6Wod
InChI InChI=1S/C28H36N2O2/c1-5-22-20-29(19-21-11-7-6-8-12-21)16-15-23(22)17-25-18-24-13-9-10-14-26(24)30(25)27(31)32-28(2,3)4/h6-14,18,22-23H,5,15-17,19-20H2,1-4H3/t22-,23-/m1/s1
InChIKey LZPOYDUHXQUGGI-DHIUTWEWSA-N
Mol Weight 432.6 g/mol
Molecular Formula C28H36N2O2
Exact Mass 432.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FesIlLDVenc
Name 2-[(cis-1-Benzyl-3-ethyl-4-piperidyl)methyl]-1-(tert-butoxycarbonyl)indole
Alternate Name(s) tert-butyl 2-{[(3R,4S)-1-benzyl-3-ethylpiperidinyl]methyl}-1H-indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C28H36N2O2
InChI InChI=1S/C28H36N2O2/c1-5-22-20-29(19-21-11-7-6-8-12-21)16-15-23(22)17-25-18-24-13-9-10-14-26(24)30(25)27(31)32-28(2,3)4/h6-14,18,22-23H,5,15-17,19-20H2,1-4H3/t22-,23-/m1/s1
InChIKey LZPOYDUHXQUGGI-DHIUTWEWSA-N
Molecular Weight 432.608 g/mol
SMILES C([n]1c(cc2c1cccc2)C[C@@]1([C@@](CN(CC1)Cc1ccccc1)(CC)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0006-9000000000-9aeda5402afa305f573c
Source of Spectrum J-59-3948-0
Wiley ID 1382489