{(6R)-6-[4-(Methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}[5-methyl-2-(trifluoromethyl)-3-furyl]methanone
11524
Reference
{(6R)-6-[4-(Methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}[5-methyl-2-(trifluoromethyl)-3-furyl]methanone Structure
Systematic / IUPAC Name: [(6R)-6-(4-Methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-[5-methyl-2-(trifluoromethyl)furan-3-yl]methanone
ID: Reference11524
Other Names: NAT47-552190
Formula: C19H20F3NO6S
Spectral Data
{(6R)-6-[4-(Methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}[5-methyl-2-(trifluoromethyl)-3-furyl]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 | 2860 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/1/2022 1:21:27 PM |
Identificators
| InChI | InChI=1S/C19H20F3NO6S/c1-12-9-16(17(28-12)19(20,21)22)18(24)23-7-8-27-11-14(10-23)29-13-3-5-15(6-4-13)30(2,25)26/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m1/s1 |
| InChI Key | QBPJMLZFAJKCJY-CQSZACIVSA-N |
| Canonical SMILES | CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCOCC(C2)OC3=CC=C(C=C3)S(=O)(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT47-552190 |