| SpectraBase Spectrum ID |
K2NiMWRKv0u |
| Name |
2-Nitro-3-(2-methoxy-4-methylphenyl)-8-methoxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.089937201 u |
| Formula |
C19H15NO6 |
| InChI |
InChI=1S/C19H15NO6/c1-10-7-8-11(14(9-10)26-3)16-17(20(23)24)19(22)15-12(18(16)21)5-4-6-13(15)25-2/h4-9H,1-3H3 |
| InChIKey |
XTZJEZCREOEHHF-UHFFFAOYSA-N |
| Molecular Weight |
353.330 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C(OC)=CC=C2)C=1C(=CC(=CC1)C)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923404 |
