(5-Methyl-1,2-oxazol-3-yl){(6R)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}methanone
12815
Reference
(5-Methyl-1,2-oxazol-3-yl){(6R)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}methanone Structure
Systematic / IUPAC Name: (5-Methyl-1,2-oxazol-3-yl)-[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]methanone
ID: Reference12815
Other Names: NAT47-552194
Formula: C17H20N2O6S
Spectral Data
(5-Methyl-1,2-oxazol-3-yl){(6R)-6-[4-(methylsulfonyl)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 | 2157 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/9/2023 11:18:15 AM |
Identificators
| InChI | InChI=1S/C17H20N2O6S/c1-12-9-16(18-25-12)17(20)19-7-8-23-11-14(10-19)24-13-3-5-15(6-4-13)26(2,21)22/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m1/s1 |
| InChI Key | OMMPMTVRGMBDSK-CQSZACIVSA-N |
| Canonical SMILES | CC1=CC(=NO1)C(=O)N2CCOCC(C2)OC3=CC=C(C=C3)S(=O)(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT47-552194 |