| SpectraBase Spectrum ID |
CkyeZTwDQ6O |
| Name |
2-Amino-3-(4-benzylpiperazino)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.163376926 u |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14,22H2 |
| InChIKey |
JULYAQQDCUMKSG-UHFFFAOYSA-N |
| Molecular Weight |
347.418 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C(=C(C2=O)N)N1CCN(CC1)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886468 |
