[5-Methyl-2-(trifluoromethyl)-3-furyl][(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
11369
Reference
[5-Methyl-2-(trifluoromethyl)-3-furyl][(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: [5-Methyl-2-(trifluoromethyl)furan-3-yl]-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
ID: Reference11369
Other Names: NAT47-552074
Formula: C18H18F3NO4
Spectral Data
[5-Methyl-2-(trifluoromethyl)-3-furyl][(6R)-6-phenoxy-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 | 2715 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/28/2022 11:46:06 AM |
Identificators
| InChI | InChI=1S/C18H18F3NO4/c1-12-9-15(16(25-12)18(19,20)21)17(23)22-7-8-24-11-14(10-22)26-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m1/s1 |
| InChI Key | NWVPXNOLGYEQPI-CQSZACIVSA-N |
| Canonical SMILES | CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCOCC(C2)OC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT47-552074 |