(6R)-4-[(5-Methyl-2-furyl)methyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane
12827
Reference
(6R)-4-[(5-Methyl-2-furyl)methyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane Structure
Systematic / IUPAC Name: (6R)-4-[(5-Methylfuran-2-yl)methyl]-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane
ID: Reference12827
Other Names: NAT47-547466
Formula: C17H19F3N2O3
Spectral Data
(6R)-4-[(5-Methyl-2-furyl)methyl]-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 | 659 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2023 4:12:37 PM |
Identificators
| InChI | InChI=1S/C17H19F3N2O3/c1-12-2-4-14(24-12)9-22-6-7-23-11-15(10-22)25-16-5-3-13(8-21-16)17(18,19)20/h2-5,8,15H,6-7,9-11H2,1H3/t15-/m1/s1 |
| InChI Key | DXXAHADOERPPCN-OAHLLOKOSA-N |
| Canonical SMILES | CC1=CC=C(O1)CN2CCOCC(C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-547466 |