| SpectraBase Spectrum ID |
KlzeJBeUIQ6 |
| Name |
2-Acetylamino-3-(4-phenylpiperazino)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.158291545 u |
| Formula |
C22H21N3O3 |
| InChI |
InChI=1S/C22H21N3O3/c1-15(26)23-19-20(22(28)18-10-6-5-9-17(18)21(19)27)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,26) |
| InChIKey |
RPYNGUIJTJQPFX-UHFFFAOYSA-N |
| Molecular Weight |
375.428 g/mol |
| SMILES |
C12=C(C(C(=C(C2=O)N2CCN(C3=CC=CC=C3)CC2)NC(C)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916249 |
