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.)]- |
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 |
Synonyms |
(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 |
Wiley ID |
1207169 |