SpectraBase Spectrum ID |
DdnYezSnYBk |
Name |
Erythro/threo-1-(4-morpholinophenyl)-2-phenylethane-1,2-diol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
299.152143537 u |
Formula |
C18H21NO3 |
InChI |
InChI=1S/C18H21NO3/c20-17(14-4-2-1-3-5-14)18(21)15-6-8-16(9-7-15)19-10-12-22-13-11-19/h1-9,17-18,20-21H,10-13H2 |
InChIKey |
MJZZVCJGAXHTIH-UHFFFAOYSA-N |
SMILES |
C=1(N2CCOCC2)C=CC(C(C(C=2C=CC=CC2)O)O)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940361 |