| SpectraBase Spectrum ID |
GJB1vII1lMF |
| Name |
2-Hydroxy-6-methoxy-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 |
339.074287137 u |
| Formula |
C18H13NO6 |
| InChI |
InChI=1S/C18H13NO6/c1-9-3-5-12(14(7-9)19(23)24)15-16(20)13-8-10(25-2)4-6-11(13)17(21)18(15)22/h3-8,22H,1-2H3 |
| InChIKey |
AERZXYYWPLJSBI-UHFFFAOYSA-N |
| Molecular Weight |
339.303 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=C(C=C2)OC)O)C=1C(N(=O)=O)=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867087 |
