| SpectraBase Spectrum ID |
8S3hpAc4HXz |
| Name |
3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one |
| Alternate Name(s) |
(1R*,4S*,7S*)-3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one
5,7-diacetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O5 |
| InChI |
InChI=1S/C14H18O5/c1-7(15)9-6-12-10(8(2)16)5-11(9)13(17)14(12,18-3)19-4/h5,9,11-12H,6H2,1-4H3/t9?,11-,12-/m0/s1 |
| InChIKey |
KNQBSEVPHRETIA-WEBCLNCGSA-N |
| Molecular Weight |
266.293 g/mol |
| SMILES |
C1([C@@]2(C(C(=O)C)=C[C@](C1=O)(C(C(=O)C)C2)[H])[H])(OC)OC |
| SPLASH |
splash10-0002-0910000000-c032180f16215498020c |
| Source of Spectrum |
J-64-4109-17 |
| Wiley ID |
1530306 |
![3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/8S3hpAc4HXz/structure.png?h=300&w=458 "3,3-Dimethoxy-5,7-diethanoylbicyclo[2.2.2]oct-5-en-2-one")
