SpectraBase Spectrum ID |
7TxgRLtBozh |
Name |
Propanamide, N-(3-hydroxy-2-methyl-3,4-diphenylbutyl)-, [S-(R*,S*)]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.188529047 u |
Formula |
C20H25NO2 |
InChI |
InChI=1S/C20H25NO2/c1-3-19(22)21-15-16(2)20(23,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,23H,3,14-15H2,1-2H3,(H,21,22)/t16-,20+/m1/s1 |
InChIKey |
SWFORRZGJNFIIU-UZLBHIALSA-N |
SMILES |
[C@@]([C@@](CNC(=O)CC)(C)[H])(CC1=CC=CC=C1)(C=1C=CC=CC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889434 |