| SpectraBase Spectrum ID |
CruTisaN6xn |
| Name |
(1R,2'S)-(-)-N-[2'-(3,4-dimethoxyphenyl)butyl]-2-methoxy-1-phenylethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.214743795 u |
| 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 |
C=1C(=CC=C(C1OC)OC)[C@@](CN[C@](C1=CC=CC=C1)(COC)[H])(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935491 |
![(1R,2'S)-(-)-N-[2'-(3,4-dimethoxyphenyl)butyl]-2-methoxy-1-phenylethylamine](/api/spectrum/CruTisaN6xn/structure.png?h=300&w=458 "(1R,2'S)-(-)-N-[2'-(3,4-dimethoxyphenyl)butyl]-2-methoxy-1-phenylethylamine")
