| SpectraBase Spectrum ID |
3EY8hUS609W |
| Name |
6,11-Dihydroxy-7,8,9,10-tetrahydro-5,12-naphthacenedione, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.110338294 u |
| Formula |
C22H18O6 |
| InChI |
InChI=1S/C22H18O6/c1-11(23)27-21-15-9-5-6-10-16(15)22(28-12(2)24)18-17(21)19(25)13-7-3-4-8-14(13)20(18)26/h3-4,7-8H,5-6,9-10H2,1-2H3 |
| InChIKey |
SBTDDZZYALUTIF-UHFFFAOYSA-N |
| Molecular Weight |
378.380 g/mol |
| SMILES |
C1CCCC=2C1=C(C=1C(=O)C=3C=CC=CC3C(C1C2OC(C)=O)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.91551 |
