| SpectraBase Spectrum ID |
22lso8c8mCR |
| Name |
Mixture of cis- and trans-3-tert-Butyl-5-methylcycloheptanones |
| Alternate Name(s) |
(3R,5R)-3-tert-butyl-5-methylcycloheptanone |
| CAS Registry Number |
71837-57-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H22O |
| InChI |
InChI=1S/C12H22O/c1-9-5-6-11(13)8-10(7-9)12(2,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1 |
| InChIKey |
WZJLBUOULPOHNG-NXEZZACHSA-N |
| Molecular Weight |
182.307 g/mol |
| SMILES |
[C@@]1(C(C)(C)C)(CC(=O)CC[C@](C1)(C)[H])[H] |
| SPLASH |
splash10-0a4i-9700000000-ed1e08cf65d1d84bc0d8 |
| Source of Spectrum |
J-44-4485-0 |
| Wiley ID |
1179116 |
