(8aR)-2-(2-Methoxyethyl)-7-[4-(methylsulfonyl)benzyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
11608
Reference
(8aR)-2-(2-Methoxyethyl)-7-[4-(methylsulfonyl)benzyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aR)-2-(2-Methoxyethyl)-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference11608
Other Names: NAT50-557572
Formula: C17H25N3O4S
Spectral Data
(8aR)-2-(2-Methoxyethyl)-7-[4-(methylsulfonyl)benzyl]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 | 1091 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/1/2022 9:53:50 AM |
Identificators
| InChI | InChI=1S/C17H25N3O4S/c1-24-10-9-19-13-15-12-18(7-8-20(15)17(19)21)11-14-3-5-16(6-4-14)25(2,22)23/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1 |
| InChI Key | REUPOWGPPJRQPU-OAHLLOKOSA-N |
| Canonical SMILES | COCCN1CC2CN(CCN2C1=O)CC3=CC=C(C=C3)S(=O)(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT50-557572 |