(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-amine
13056
Reference
(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-amine Structure
Systematic / IUPAC Name: (1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
ID: Reference13056
Other Names: NAT16-353352
Formula: C17H20ClN3
Spectral Data
(1S,4S)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-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 | 1074 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/11/2024 12:10:44 PM |
Identificators
| InChI | InChI=1S/C17H20ClN3/c1-10-4-7-15(9-16(10)18)21-12(3)17(11(2)20-21)13-5-6-14(19)8-13/h4-7,9,13-14H,8,19H2,1-3H3/t13-,14-/m1/s1 |
| InChI Key | LKFCDJCHECSGNM-ZIAGYGMSSA-N |
| Canonical SMILES | CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C3CC(C=C3)N)C)Cl |
| CAS | |
| Splash | |
| Other Names | NAT16-353352 |