| SpectraBase Spectrum ID |
2MXJXaJ3JUa |
| Name |
1,4-Naphthoquinone, 6-acetyl-2,5-dihydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.037173353 u |
| Formula |
C12H8O5 |
| InChI |
InChI=1S/C12H8O5/c1-5(13)6-2-3-7-10(12(6)17)8(14)4-9(15)11(7)16/h2-4,15,17H,1H3 |
| InChIKey |
BWJNGOYFTXJBNB-UHFFFAOYSA-N |
| Molecular Weight |
232.191 g/mol |
| SMILES |
C1(O)=C2C(C(=O)C(=CC2=O)O)=CC=C1C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963503 |
