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(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)-1-propanamine
SpectraBase Compound ID FgX5kx1EuPr
InChI InChI=1S/C26H31NO4/c1-18(20-11-13-22(28-2)24(15-20)30-4)26(27-17-19-9-7-6-8-10-19)21-12-14-23(29-3)25(16-21)31-5/h6-16,18,26-27H,17H2,1-5H3/t18-,26-/m0/s1
InChIKey DXAKCTXYQFDOKJ-QYBDOPJKSA-N
Mol Weight 421.54 g/mol
Molecular Formula C26H31NO4
Exact Mass 421.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBB9L9bQFKZ
Name (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)-1-propanamine
Alternate Name(s) (1S,2S)-1,2-bis(3,4-dimethoxyphenyl)-N-(phenylmethyl)propan-1-amine (1S,2S)-N-benzyl-1,2-bis(3,4-dimethoxyphenyl)propan-1-amine benzyl-[(1S,2S)-1,2-bis(3,4-dimethoxyphenyl)propyl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C26H31NO4
InChI InChI=1S/C26H31NO4/c1-18(20-11-13-22(28-2)24(15-20)30-4)26(27-17-19-9-7-6-8-10-19)21-12-14-23(29-3)25(16-21)31-5/h6-16,18,26-27H,17H2,1-5H3/t18-,26-/m0/s1
InChIKey DXAKCTXYQFDOKJ-QYBDOPJKSA-N
Molecular Weight 421.537 g/mol
SMILES N([C@@]([C@@](C)(c1cc(c(cc1)OC)OC)[H])(c1cc(c(cc1)OC)OC)[H])Cc1ccccc1
SPLASH splash10-014i-0090000000-e4bfba7d19cc66838b7c
Source of Spectrum J-64-4615-5
Wiley ID 1530456