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(-)-(1S,2S)-N-Benzyl-1-(3,4-dimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-4-pentenylamine
SpectraBase Compound ID EmGa7uKza82
InChI InChI=1S/C27H29NO4/c1-4-8-22(20-11-14-24-26(15-20)32-18-31-24)27(28-17-19-9-6-5-7-10-19)21-12-13-23(29-2)25(16-21)30-3/h4-7,9-16,22,27-28H,1,8,17-18H2,2-3H3/t22-,27+/m0/s1
InChIKey NLDOJMHGJADSGE-WXVAWEFUSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dFwnOvYvuK
Name (-)-(1S,2S)-N-Benzyl-1-(3,4-dimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-4-pentenylamine
Alternate Name(s) (1S,2S)-2-(1,3-benzodioxol-5-yl)-N-benzyl-1-(3,4-dimethoxyphenyl)-4-penten-1-amine N-[(1S,2S)-2-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-4-pentenyl]-N-benzylamine
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Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c1-4-8-22(20-11-14-24-26(15-20)32-18-31-24)27(28-17-19-9-6-5-7-10-19)21-12-13-23(29-2)25(16-21)30-3/h4-7,9-16,22,27-28H,1,8,17-18H2,2-3H3/t22-,27+/m0/s1
InChIKey NLDOJMHGJADSGE-WXVAWEFUSA-N
Molecular Weight 431.532 g/mol
SMILES N([C@](c1cc(OC)c(cc1)OC)([C@](c1cc2OCOc2cc1)(CC=C)[H])[H])Cc1ccccc1
SPLASH splash10-0aou-3194000000-8cc94b3cb9d8a758ec96
Source of Spectrum QC-10-1955-6
Wiley ID 871418