| SpectraBase Spectrum ID |
4PiDvsNrTEp |
| Name |
2-Hydroxy-6,7-dimethoxy-3-(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 |
355.069201756 u |
| Formula |
C18H13NO7 |
| InChI |
InChI=1S/C18H13NO7/c1-25-13-7-10-11(8-14(13)26-2)17(21)18(22)15(16(10)20)9-5-3-4-6-12(9)19(23)24/h3-8,22H,1-2H3 |
| InChIKey |
SLUFELHGSORLQA-UHFFFAOYSA-N |
| Molecular Weight |
355.302 g/mol |
| SMILES |
C1(C(=C(C(C=2C=C(C(=CC12)OC)OC)=O)C=1C(=CC=CC1)N(=O)=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85991 |
