| SpectraBase Spectrum ID |
6fOldw1QQ0O |
| Name |
1,5-Azulenedione, 2,3,3a,4,8,8a-hexahydro-4,8a-dimethyl-, (3a.alpha.,4.alpha.,8a.beta.)-(.+-.)- |
| Alternate Name(s) |
(3aS,4S,8aS)-4,8a-dimethyl-2,3,3a,4,8,8a-hexahydro-1,5-azulenedione
1,6-Dimethylbicyclo[5.3.0]dec-8-en-2,7-dione |
| CAS Registry Number |
76156-87-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-8-9-5-6-11(14)12(9,2)7-3-4-10(8)13/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,12-/m0/s1 |
| InChIKey |
PHYHDTXCSIGBCB-AUTRQRHGSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)C=CC2)(C)[H])(CCC1=O)[H])C |
| SPLASH |
splash10-0002-9100000000-7e5eb80e506d1b5b6ef0 |
| Source of Spectrum |
C-104-7179-0 |
| Wiley ID |
1188639 |
