| SpectraBase Spectrum ID |
JMG3UZQMERr |
| Name |
9,10-Anthracenedione, 1,4,4A,9A-tetrahydro-8-hydroxy-1,1,4-trimethoxy-, (4.alpha.,4A.beta.,9A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.110338294 u |
| Formula |
C17H18O6 |
| InChI |
InChI=1S/C17H18O6/c1-21-11-7-8-17(22-2,23-3)14-13(11)15(19)9-5-4-6-10(18)12(9)16(14)20/h4-8,11,13-14,18H,1-3H3/t11-,13-,14+/m0/s1 |
| InChIKey |
ZCNKBLQBGWCMNR-FPMFFAJLSA-N |
| Molecular Weight |
318.325 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)C3=C(C2=O)C(O)=CC=C3)([C@@](OC)(C=CC1(OC)OC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958741 |
