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(1R,2'S)-(-)-N-[2'-(3,4-Dimethoxyphenyl)butyl]-2-methoxy-1-phenylethylamine
SpectraBase Compound ID ETBHT1wOvpn
InChI InChI=1S/C21H29NO3/c1-5-16(18-11-12-20(24-3)21(13-18)25-4)14-22-19(15-23-2)17-9-7-6-8-10-17/h6-13,16,19,22H,5,14-15H2,1-4H3/t16-,19+/m1/s1
InChIKey CLRKEXJKDQVQJV-APWZRJJASA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpeAT0CcbWi
Name (1R,2'S)-(-)-N-[2'-(3,4-Dimethoxyphenyl)butyl]-2-methoxy-1-phenylethylamine
Alternate Name(s) (2S)-2-(3,4-dimethoxyphenyl)-N-[(1R)-2-methoxy-1-phenylethyl]-1-butanamine N-[(2S)-2-(3,4-dimethoxyphenyl)butyl]-N-[(1R)-2-methoxy-1-phenylethyl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-5-16(18-11-12-20(24-3)21(13-18)25-4)14-22-19(15-23-2)17-9-7-6-8-10-17/h6-13,16,19,22H,5,14-15H2,1-4H3/t16-,19+/m1/s1
InChIKey CLRKEXJKDQVQJV-APWZRJJASA-N
Molecular Weight 343.467 g/mol
SMILES N(C[C@](c1cc(c(cc1)OC)OC)(CC)[H])[C@](c1ccccc1)(COC)[H]
SPLASH splash10-000i-0900000000-5eb65b44421de49415ea
Source of Spectrum QC-11-3784-2
Wiley ID 860169