| SpectraBase Spectrum ID |
CZbs3m05dRe |
| Name |
2-Acetylamino-3-[4-(2-cyanoethyl)piperazino]naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.153540517 u |
| Formula |
C19H20N4O3 |
| InChI |
InChI=1S/C19H20N4O3/c1-13(24)21-16-17(23-11-9-22(10-12-23)8-4-7-20)19(26)15-6-3-2-5-14(15)18(16)25/h2-3,5-6H,4,8-12H2,1H3,(H,21,24) |
| InChIKey |
CYYXVQRQBXQISI-UHFFFAOYSA-N |
| Molecular Weight |
352.394 g/mol |
| SMILES |
C12=C(C(C(=C(C2=O)N2CCN(CCC#N)CC2)NC(=O)C)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951234 |
![2-Acetylamino-3-[4-(2-cyanoethyl)piperazino]naphthoquinone](/api/spectrum/CZbs3m05dRe/structure.png?h=300&w=458 "2-Acetylamino-3-[4-(2-cyanoethyl)piperazino]naphthoquinone")
