| SpectraBase Spectrum ID |
7xrcljBSGrZ |
| Name |
1,4,4a,9,9a,10-Hexahydro-2,3-dimethyl-9,10-(o-benzeno)anthracene-1,4-dione |
| Alternate Name(s) |
4,5-dimethylpentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-4,9,11,13,15,17,19-heptaene-3,6-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18O2 |
| InChI |
InChI=1S/C22H18O2/c1-11-12(2)22(24)20-18-15-9-5-3-7-13(15)17(19(20)21(11)23)14-8-4-6-10-16(14)18/h3-10,17-20H,1-2H3/t17-,18+,19-,20+ |
| InChIKey |
FIRFALDHDQHZPP-FGYAAKKASA-N |
| Molecular Weight |
314.384 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)C(=C(C2=O)C)C)([C@]2(c3c([C@@]1(c1c2cccc1)[H])cccc3)[H])[H])[H] |
| SPLASH |
splash10-004i-0900000000-d36da27650693bbd0a20 |
| Source of Spectrum |
U-1997-1957-9 |
| Wiley ID |
770208 |
