| SpectraBase Spectrum ID |
Hs2tUlM1DTe |
| Name |
2,3,5-Triacetoxy-8-hydroxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.048131957 u |
| Formula |
C16H12O9 |
| InChI |
InChI=1S/C16H12O9/c1-6(17)23-10-5-4-9(20)11-12(10)14(22)16(25-8(3)19)15(13(11)21)24-7(2)18/h4-5,20H,1-3H3 |
| InChIKey |
UKJKUKQKXIBOAG-UHFFFAOYSA-N |
| Molecular Weight |
348.263 g/mol |
| SMILES |
C1(C(=C(C(C=2C(=CC=C(C12)O)OC(=O)C)=O)OC(=O)C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932244 |
