| SpectraBase Spectrum ID |
1pmXM7OvYP9 |
| Name |
(E)-N-Benzyl-3-hydroxy-2,3-bis-(2,4,6-trimethylphenyl)-propenamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.235479240 u |
| Formula |
C28H31NO2 |
| InChI |
InChI=1S/C28H31NO2/c1-17-12-19(3)24(20(4)13-17)26(28(31)29-16-23-10-8-7-9-11-23)27(30)25-21(5)14-18(2)15-22(25)6/h7-15,30H,16H2,1-6H3,(H,29,31)/b27-26+ |
| InChIKey |
DROAVMZQPPRKEF-CYYJNZCTSA-N |
| Molecular Weight |
413.561 g/mol |
| SMILES |
C(NCC1=CC=CC=C1)(\C(=C/(C1=C(C=C(C=C1C)C)C)O)C=1C(=CC(=CC1C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920976 |
