(1,3-Dimethyl-1H-pyrazol-5-yl){(6R)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}methanone
11442
Reference
(1,3-Dimethyl-1H-pyrazol-5-yl){(6R)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}methanone Structure
Systematic / IUPAC Name: (2,5-Dimethylpyrazol-3-yl)-[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]methanone
ID: Reference11442
Other Names: NAT47-552225
Formula: C18H23N3O5S
Spectral Data
(1,3-Dimethyl-1H-pyrazol-5-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 | 1099 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/3/2022 2:59:44 PM |
Identificators
| InChI | InChI=1S/C18H23N3O5S/c1-13-10-17(20(2)19-13)18(22)21-8-9-25-12-15(11-21)26-14-4-6-16(7-5-14)27(3,23)24/h4-7,10,15H,8-9,11-12H2,1-3H3/t15-/m1/s1 |
| InChI Key | FORTVKBDHZHSFW-OAHLLOKOSA-N |
| Canonical SMILES | CC1=NN(C(=C1)C(=O)N2CCOCC(C2)OC3=CC=C(C=C3)S(=O)(=O)C)C |
| CAS | |
| Splash | |
| Other Names | NAT47-552225 |