| SpectraBase Spectrum ID |
KodorAD1Sxd |
| Name |
1-Methyl-2,3-diphenacyl-4-acetyl-1,2,3,4-tetrahydroquinoxaline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.194342702 u |
| Formula |
C27H26N2O3 |
| InChI |
InChI=1S/C27H26N2O3/c1-19(30)29-23-16-10-9-15-22(23)28(2)24(17-26(31)20-11-5-3-6-12-20)25(29)18-27(32)21-13-7-4-8-14-21/h3-16,24-25H,17-18H2,1-2H3 |
| InChIKey |
MLBWOBXHQZIRKE-UHFFFAOYSA-N |
| Molecular Weight |
426.516 g/mol |
| SMILES |
C1(N(C2=C(N(C1CC(=O)C=1C=CC=CC1)C)C=CC=C2)C(=O)C)CC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813684 |
