| SpectraBase Spectrum ID |
KXTWykqEfBj |
| Name |
(1R,2S)-(-)-2-amino-1,2-bis(3,4-dimethoxyphenyl)ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.157622840 u |
| Formula |
C18H23NO5 |
| InChI |
InChI=1S/C18H23NO5/c1-21-13-7-5-11(9-15(13)23-3)17(19)18(20)12-6-8-14(22-2)16(10-12)24-4/h5-10,17-18,20H,19H2,1-4H3/t17-,18+/m0/s1 |
| InChIKey |
BGVCDBZYGQRFRR-ZWKOTPCHSA-N |
| Molecular Weight |
333.384 g/mol |
| SMILES |
C=1([C@@]([C@@](C=2C=C(OC)C(=CC2)OC)(O)[H])(N)[H])C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960459 |
