| SpectraBase Spectrum ID |
GwqVwouL0fr |
| Name |
(1R,2S)-(-)-2-amino-1-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.168187523 u |
| Formula |
C19H25NO6 |
| InChI |
InChI=1S/C19H25NO6/c1-22-13-7-6-11(8-14(13)23-2)18(21)17(20)12-9-15(24-3)19(26-5)16(10-12)25-4/h6-10,17-18,21H,20H2,1-5H3/t17-,18+/m0/s1 |
| InChIKey |
UAAPCQXZQHAWJU-ZWKOTPCHSA-N |
| Molecular Weight |
363.410 g/mol |
| SMILES |
C1([C@@]([C@@](C=2C=C(OC)C(=CC2)OC)(O)[H])(N)[H])=CC(OC)=C(C(=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972976 |
