| SpectraBase Spectrum ID |
GeemivDaRwr |
| Name |
2-(4-Phenylpiperazino)-3-(4-tolilamino)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.194677055 u |
| Formula |
C27H25N3O2 |
| InChI |
InChI=1S/C27H25N3O2/c1-19-11-13-20(14-12-19)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,28H,15-18H2,1H3 |
| InChIKey |
PEUYUGRMTKXCEU-UHFFFAOYSA-N |
| Molecular Weight |
423.516 g/mol |
| SMILES |
C12=C(C(C(=C(C2=O)NC2=CC=C(C=C2)C)N2CCN(CC2)C2=CC=CC=C2)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858403 |
