| SpectraBase Spectrum ID |
1a3yGc2fJhF |
| Name |
(1R,6S,7S)-5-Oxo-3,3-dimethylbicyclo[4.2.0]octane-7-(endo)-carbonitrile |
| Alternate Name(s) |
(1R,6S,7S)-3,3-dimethyl-5-oxobicyclo[4.2.0]octane-7-carbonitrile
5-Oxo-3,3-dimethylbicyclo[4.2.0]octane-7-(endo)-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H15NO |
| InChI |
InChI=1S/C11H15NO/c1-11(2)4-7-3-8(6-12)10(7)9(13)5-11/h7-8,10H,3-5H2,1-2H3/t7-,8-,10+/m1/s1 |
| InChIKey |
VWIHUSIJCXYROF-MRTMQBJTSA-N |
| Molecular Weight |
177.247 g/mol |
| SMILES |
C1([C@@]2([C@](C[C@]2([H])CC(C1)(C)C)(C#N)[H])[H])=O |
| SPLASH |
splash10-001i-9100000000-75452585d9df1c18f9ca |
| Source of Spectrum |
I-81-420-4 |
| Wiley ID |
1517396 |
![1-ALPHA,6-ALPHA-3,3-DIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE](/api/spectrum/1a3yGc2fJhF/structure.png?h=300&w=458 "1-ALPHA,6-ALPHA-3,3-DIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE")
