| SpectraBase Spectrum ID |
3oZCqqgdwpY |
| Name |
1,4,4A,9,9A,10-Hexahydro-2,3-dimethoxy-9,10-(o-benzeno)anthracene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.120509056 u |
| Formula |
C22H18O4 |
| InChI |
InChI=1S/C22H18O4/c1-25-21-19(23)17-15-11-7-3-5-9-13(11)16(14-10-6-4-8-12(14)15)18(17)20(24)22(21)26-2/h3-10,15-18H,1-2H3/t15-,16+,17-,18+ |
| InChIKey |
IVJYZFYKDYNMMP-USTZCAOPSA-N |
| Molecular Weight |
346.382 g/mol |
| SMILES |
C1(=C(C(=O)[C@]2([C@@](C1=O)([C@]1(C3=C(C=CC=C3)[C@@]2(C=2C1=CC=CC2)[H])[H])[H])[H])OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900294 |
