SpectraBase Spectrum ID |
Kz9K076ugWU |
Name |
4,5-Dihydroxy-4,5-dimethyl-2-phenyl-3-(2-pyridyl)-1-pyrroline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.136827826 u |
Formula |
C17H18N2O2 |
InChI |
InChI=1S/C17H18N2O2/c1-16(20)14(13-10-6-7-11-18-13)15(19-17(16,2)21)12-8-4-3-5-9-12/h3-11,14,20-21H,1-2H3 |
InChIKey |
TXWFMLXLJZAVHU-UHFFFAOYSA-N |
SMILES |
C1(=NC(C(C1C1=NC=CC=C1)(O)C)(O)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861843 |