| SpectraBase Spectrum ID |
lXGRtDGSWL |
| Name |
N-Ethyl-N-p-bromophenyl-2-methyl-1,4-naphthoquinone-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.031356376 u |
| Formula |
C20H16BrNO3 |
| InChI |
InChI=1S/C20H16BrNO3/c1-3-22(14-10-8-13(21)9-11-14)20(25)17-12(2)18(23)15-6-4-5-7-16(15)19(17)24/h4-11H,3H2,1-2H3 |
| InChIKey |
JZAHYOBBRWSVIE-UHFFFAOYSA-N |
| Molecular Weight |
398.256 g/mol |
| SMILES |
C12=C(C=CC=C2)C(C(=C(C1=O)C(N(CC)C1=CC=C(C=C1)Br)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949936 |
