Ethyl [(1S,4S,5S)-4-({[(3-fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate
10358
Reference
Ethyl [(1S,4S,5S)-4-({[(3-fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate Structure
Systematic / IUPAC Name: Ethyl 2-[(1S,4S,5S)-4-[[(3-fluorophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetate
ID: Reference10358
Other Names: NAT28-409105
Formula: C21H30FNO4S
Spectral Data
Ethyl [(1S,4S,5S)-4-({[(3-fluorophenyl)sulfonyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]acetate 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 | 2 |
| No. of Spectra | 3861 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/9/2021 1:38:27 PM |
Identificators
| InChI | InChI=1S/C21H30FNO4S/c1-5-27-21(24)11-16-10-20(14(2)3)17(9-15(16)4)13-23-28(25,26)19-8-6-7-18(22)12-19/h6-9,12,14,16-17,20,23H,5,10-11,13H2,1-4H3/t16-,17-,20-/m0/s1 |
| InChI Key | RAUAATRSDSXCBN-ZWOKBUDYSA-N |
| Canonical SMILES | CCOC(=O)CC1CC(C(C=C1C)CNS(=O)(=O)C2=CC=CC(=C2)F)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-409105 |