2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[4-(trifluoromethyl)benzyl]acetamide
12154
Reference
2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[4-(trifluoromethyl)benzyl]acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Cyanomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
ID: Reference12154
Other Names: NAT28-409865
Formula: C22H27F3N2O
Spectral Data
2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-[4-(trifluoromethyl)benzyl]acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1925 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/20/2023 7:50:20 AM |
Identificators
| InChI | InChI=1S/C22H27F3N2O/c1-14(2)20-11-18(15(3)10-17(20)8-9-26)12-21(28)27-13-16-4-6-19(7-5-16)22(23,24)25/h4-7,10,14,17-18,20H,8,11-13H2,1-3H3,(H,27,28)/t17-,18+,20+/m1/s1 |
| InChI Key | PGEHXJQIJSYLEL-HBFSDRIKSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(C)C)CC#N |
| CAS | |
| Splash | |
| Other Names | NAT28-409865 |