| SpectraBase Spectrum ID |
G9WOXKdVua0 |
| Name |
1-{3-[trans-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O |
| InChI |
InChI=1S/C21H28N2O/c1-15(24)17-8-11-20(23-13-5-12-22-23)19(14-17)16-6-9-18(10-7-16)21(2,3)4/h5,8,11-14,16,18H,6-7,9-10H2,1-4H3/t16-,18+ |
| InChIKey |
XPWKWCDFWZWHNU-MAEOIBBWSA-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(ccc(cc1[C@]1(CC[C@](CC1)(C(C)(C)C)[H])[H])C(C)=O)-[n]1cccn1 |
| SPLASH |
splash10-00di-0169000000-6cec5952d9262bf69da0 |
| Source of Spectrum |
ACI-59-SM54-trans-6fk |
| Wiley ID |
1858349 |
![1-{3-[cis-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one](/api/spectrum/G9WOXKdVua0/structure.png?h=300&w=458 "1-{3-[cis-4-(tert-Butyl)cyclohexyl]-4-(1H-pyrazol-1-yl)phenyl}ethan-1-one")
