| SpectraBase Spectrum ID |
7DPZe6W3ypD |
| Name |
2-Hydroxy-3-(4-methyl-2-nitrophenyl)-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.063722453 u |
| Formula |
C17H11NO5 |
| InChI |
InChI=1S/C17H11NO5/c1-9-6-7-12(13(8-9)18(22)23)14-15(19)10-4-2-3-5-11(10)16(20)17(14)21/h2-8,21H,1H3 |
| InChIKey |
NTLHVGYOONGNKI-UHFFFAOYSA-N |
| Molecular Weight |
309.277 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)O)C=1C(N(=O)=O)=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865678 |
