4-{[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]carbonyl}benzonitrile
11380
Reference
4-{[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]carbonyl}benzonitrile Structure
Systematic / IUPAC Name: 4-[(6R)-6-[5-(Trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane-4-carbonyl]benzonitrile
ID: Reference11380
Other Names: NAT47-546979
Formula: C19H16F3N3O3
Spectral Data
4-{[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]carbonyl}benzonitrile 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 | 1195 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/5/2022 2:17:44 PM |
Identificators
| InChI | InChI=1S/C19H16F3N3O3/c20-19(21,22)15-5-6-17(24-10-15)28-16-11-25(7-8-27-12-16)18(26)14-3-1-13(9-23)2-4-14/h1-6,10,16H,7-8,11-12H2/t16-/m1/s1 |
| InChI Key | FWAYADPYFOEURZ-MRXNPFEDSA-N |
| Canonical SMILES | C1COCC(CN1C(=O)C2=CC=C(C=C2)C#N)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-546979 |