(8aS)-2-(4-Methoxybenzyl)-7-[(4-methylphenyl)sulfonyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
12824
Reference
(8aS)-2-(4-Methoxybenzyl)-7-[(4-methylphenyl)sulfonyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-2-[(4-Methoxyphenyl)methyl]-7-(4-methylphenyl)sulfonyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference12824
Other Names: NAT50-555111
Formula: C21H25N3O4S
Spectral Data
(8aS)-2-(4-Methoxybenzyl)-7-[(4-methylphenyl)sulfonyl]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 | 1035 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2023 4:05:24 PM |
Identificators
| InChI | InChI=1S/C21H25N3O4S/c1-16-3-9-20(10-4-16)29(26,27)23-11-12-24-18(15-23)14-22(21(24)25)13-17-5-7-19(28-2)8-6-17/h3-10,18H,11-15H2,1-2H3/t18-/m0/s1 |
| InChI Key | JDPCGNZTHJMGBH-SFHVURJKSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)CN(C3=O)CC4=CC=C(C=C4)OC |
| CAS | |
| Splash | |
| Other Names | NAT50-555111 |