(8aS)-7-(Benzylsulfonyl)-2-(4-fluorobenzyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
11711
Reference
(8aS)-7-(Benzylsulfonyl)-2-(4-fluorobenzyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-7-Benzylsulfonyl-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference11711
Other Names: NAT50-554970
Formula: C20H22FN3O3S
Spectral Data
(8aS)-7-(Benzylsulfonyl)-2-(4-fluorobenzyl)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 | 2784 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/5/2022 11:15:44 AM |
Identificators
| InChI | InChI=1S/C20H22FN3O3S/c21-18-8-6-16(7-9-18)12-22-13-19-14-23(10-11-24(19)20(22)25)28(26,27)15-17-4-2-1-3-5-17/h1-9,19H,10-15H2/t19-/m0/s1 |
| InChI Key | VEOGIKQVLVSYSD-IBGZPJMESA-N |
| Canonical SMILES | C1CN2C(CN1S(=O)(=O)CC3=CC=CC=C3)CN(C2=O)CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT50-554970 |