(6R)-4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane
12008
Reference
(6R)-4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane Structure
Systematic / IUPAC Name: (6R)-4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane
ID: Reference12008
Other Names: NAT47-547000
Formula: C16H18F3N3O5S
Spectral Data
(6R)-4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane 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 | 1053 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/28/2022 5:09:26 PM |
Identificators
| InChI | InChI=1S/C16H18F3N3O5S/c1-10-15(11(2)27-21-10)28(23,24)22-5-6-25-9-13(8-22)26-14-4-3-12(7-20-14)16(17,18)19/h3-4,7,13H,5-6,8-9H2,1-2H3/t13-/m1/s1 |
| InChI Key | MPBLLJCVNRLGNP-CYBMUJFWSA-N |
| Canonical SMILES | CC1=C(C(=NO1)C)S(=O)(=O)N2CCOCC(C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-547000 |