(8aS)-2-(4-Methoxybenzyl)-7-(methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
12006
Reference
(8aS)-2-(4-Methoxybenzyl)-7-(methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-2-[(4-Methoxyphenyl)methyl]-7-methylsulfonyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference12006
Other Names: NAT50-555106
Formula: C15H21N3O4S
Spectral Data
(8aS)-2-(4-Methoxybenzyl)-7-(methylsulfonyl)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 | 1113 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/28/2022 5:03:30 PM |
Identificators
| InChI | InChI=1S/C15H21N3O4S/c1-22-14-5-3-12(4-6-14)9-16-10-13-11-17(23(2,20)21)7-8-18(13)15(16)19/h3-6,13H,7-11H2,1-2H3/t13-/m0/s1 |
| InChI Key | NROLSTMNWDTZIL-ZDUSSCGKSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CN2CC3CN(CCN3C2=O)S(=O)(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT50-555106 |