| SpectraBase Spectrum ID |
3QhCPIWngsb |
| Name |
2-Acetylamino-3-[4-benzoyl-1,2,3,4-tetrahydropyrazino]-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.137556100 u |
| Formula |
C23H19N3O4 |
| InChI |
InChI=1S/C23H19N3O4/c1-15(27)24-19-20(22(29)18-10-6-5-9-17(18)21(19)28)25-11-13-26(14-12-25)23(30)16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,24,27) |
| InChIKey |
RAOCNTVNKNFTQR-UHFFFAOYSA-N |
| Molecular Weight |
401.422 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C(=C(C2=O)NC(=O)C)N1C=CN(C(=O)C2=CC=CC=C2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926449 |
![2-Acetylamino-3-[4-benzoyl-1,2,3,4-tetrahydropyrazino]-1,4-naphthoquinone](/api/spectrum/3QhCPIWngsb/structure.png?h=300&w=458 "2-Acetylamino-3-[4-benzoyl-1,2,3,4-tetrahydropyrazino]-1,4-naphthoquinone")
