(8aS)-2-(4-Fluorobenzyl)-7-(phenylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
11688
Reference
(8aS)-2-(4-Fluorobenzyl)-7-(phenylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-7-(Benzenesulfonyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference11688
Other Names: NAT50-554966
Formula: C19H20FN3O3S
Spectral Data
(8aS)-2-(4-Fluorobenzyl)-7-(phenylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one 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 | 1555 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/24/2022 7:14:09 AM |
Identificators
| InChI | InChI=1S/C19H20FN3O3S/c20-16-8-6-15(7-9-16)12-21-13-17-14-22(10-11-23(17)19(21)24)27(25,26)18-4-2-1-3-5-18/h1-9,17H,10-14H2/t17-/m0/s1 |
| InChI Key | PUPVMYDJGVAQIG-KRWDZBQOSA-N |
| Canonical SMILES | C1CN2C(CN1S(=O)(=O)C3=CC=CC=C3)CN(C2=O)CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT50-554966 |