Systematic / IUPAC Name: (6R)-4-(4-Fluorophenyl)sulfonyl-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane
ID: Reference11382
Other Names: NAT47-546982
Formula: C17H16F4N2O4S
(6R)-4-[(4-Fluorophenyl)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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1165 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/5/2022 2:19:45 PM |
InChI | InChI=1S/C17H16F4N2O4S/c18-13-2-4-15(5-3-13)28(24,25)23-7-8-26-11-14(10-23)27-16-6-1-12(9-22-16)17(19,20)21/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1 |
InChI Key | WRPZMJIGHPCWCQ-CQSZACIVSA-N |
Canonical SMILES | C1COCC(CN1S(=O)(=O)C2=CC=C(C=C2)F)OC3=NC=C(C=C3)C(F)(F)F |
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Other Names | NAT47-546982 |