(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone
12672
Reference
(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: (2,5-Dimethylpyrazol-3-yl)-[(6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepan-4-yl]methanone
ID: Reference12672
Other Names: NAT47-547002
Formula: C17H19F3N4O3
Spectral Data
(1,3-Dimethyl-1H-pyrazol-5-yl)[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone 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 | 1392 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/24/2023 4:37:12 PM |
Identificators
| InChI | InChI=1S/C17H19F3N4O3/c1-11-7-14(23(2)22-11)16(25)24-5-6-26-10-13(9-24)27-15-4-3-12(8-21-15)17(18,19)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-/m1/s1 |
| InChI Key | XWSHDWLFOJNMGM-CYBMUJFWSA-N |
| Canonical SMILES | CC1=NN(C(=C1)C(=O)N2CCOCC(C2)OC3=NC=C(C=C3)C(F)(F)F)C |
| CAS | |
| Splash | |
| Other Names | NAT47-547002 |