| SpectraBase Spectrum ID |
HSnmmvJl94z |
| Name |
Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(3-oxobutyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]- |
| Alternate Name(s) |
(1S,2S,5R)-6,6-dimethyl-2-(3-oxobutyl)bicyclo[3.1.1]heptan-3-one
Mixture of isomers of 1-(3-oxopinan-10-yl) acetone |
| CAS Registry Number |
77949-00-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-8(14)4-5-10-11-6-9(7-12(10)15)13(11,2)3/h9-11H,4-7H2,1-3H3/t9-,10+,11+/m1/s1 |
| InChIKey |
POVCXAOBNHLOOF-VWYCJHECSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
[C@]12(C(C)(C)[C@](C2)(CC([C@]1(CCC(=O)C)[H])=O)[H])[H] |
| SPLASH |
splash10-0006-9100000000-a120fe284d35c895dabc |
| Source of Spectrum |
H-64-168-0 |
| Wiley ID |
1207169 |
![Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(3-oxobutyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-](/api/spectrum/HSnmmvJl94z/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(3-oxobutyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-")
