| SpectraBase Spectrum ID |
iNn0Pkssw8 |
| Name |
2-Amino-3-phenyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.078978596 u |
| Formula |
C16H11NO2 |
| InChI |
InChI=1S/C16H11NO2/c17-14-13(10-6-2-1-3-7-10)15(18)11-8-4-5-9-12(11)16(14)19/h1-9H,17H2 |
| InChIKey |
GFUXSPXAFRJOOL-UHFFFAOYSA-N |
| Molecular Weight |
249.269 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)N)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955278 |
