| SpectraBase Spectrum ID |
AncFBi41uou |
| Name |
(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione |
| Alternate Name(s) |
(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-quinone
(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2,5-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-13-4-2-3-10(14)9(13)5-8-6-12(15)16-11(8)7-13/h8-9,11H,2-7H2,1H3/t8-,9+,11-,13-/m1/s1 |
| InChIKey |
PJSXWGRBQPZVIK-INTNWOOBSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
[C@@]12([C@@](C[C@]3([C@](OC(=O)C3)(C1)[H])[H])(C(=O)CCC2)[H])C |
| SPLASH |
splash10-03di-0920000000-688ef8620d02722cb899 |
| Source of Spectrum |
KC-1993-244-27 |
| Wiley ID |
778875 |
![(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione](/api/spectrum/AncFBi41uou/structure.png?h=300&w=458 "(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione")
