| SpectraBase Spectrum ID |
9QyDS4rTdEK |
| Name |
1-{2-[trans-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O |
| InChI |
InChI=1S/C21H28N2O/c1-15(24)19-11-10-18(23-13-5-12-22-23)14-20(19)16-6-8-17(9-7-16)21(2,3)4/h5,10-14,16-17H,6-9H2,1-4H3/t16-,17+ |
| InChIKey |
PYKREPJSKPCHIX-CALCHBBNSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202007144 |
| Molecular Weight |
324.468 g/mol |
| Reported Formula |
C21H28N2O |
| SMILES |
c1(cc(c(cc1)C(=O)C)[C@]1(CC[C@](CC1)(C(C)(C)C)[H])[H])-[n]1cccn1 |
| SPLASH |
splash10-0a4i-0289000000-a03966570e113d483080 |
| Sample Comments |
cis/trans mixture (1:1.3) |
| Source of Spectrum |
ACI-59-SM54-Mixture of cis-7fk/trans-7fk |
| Wiley ID |
1858348 |
![1-{2-[trans-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one](/api/spectrum/9QyDS4rTdEK/structure.png?h=300&w=458 "1-{2-[trans-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one")
