(1S,4S)-N-(3-Chlorobenzyl)-4-[3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-amine
12169
Reference
(1S,4S)-N-(3-Chlorobenzyl)-4-[3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-amine Structure
Systematic / IUPAC Name: (1S,4S)-N-[(3-Chlorophenyl)methyl]-4-[3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-yl]cyclopent-2-en-1-amine
ID: Reference12169
Other Names: NAT16-353070
Formula: C23H23ClN4O2
Spectral Data
(1S,4S)-N-(3-Chlorobenzyl)-4-[3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-amine 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 | 2046 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/24/2023 9:57:07 AM |
Identificators
| InChI | InChI=1S/C23H23ClN4O2/c1-15-23(16(2)27(26-15)21-8-3-4-9-22(21)28(29)30)18-10-11-20(13-18)25-14-17-6-5-7-19(24)12-17/h3-12,18,20,25H,13-14H2,1-2H3/t18-,20-/m1/s1 |
| InChI Key | GHDKFGHHIYGTQU-UYAOXDASSA-N |
| Canonical SMILES | CC1=C(C(=NN1C2=CC=CC=C2[N+](=O)[O-])C)C3CC(C=C3)NCC4=CC(=CC=C4)Cl |
| CAS | |
| Splash | |
| Other Names | NAT16-353070 |