(8aR)-7-(1,3-Benzodioxol-5-ylcarbonyl)-2-(4-methoxybenzyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
12861
Reference
(8aR)-7-(1,3-Benzodioxol-5-ylcarbonyl)-2-(4-methoxybenzyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aR)-7-(1,3-Benzodioxole-5-carbonyl)-2-[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference12861
Other Names: NAT50-555095
Formula: C22H23N3O5
Spectral Data
(8aR)-7-(1,3-Benzodioxol-5-ylcarbonyl)-2-(4-methoxybenzyl)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 | 545 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2023 12:04:58 PM |
Identificators
| InChI | InChI=1S/C22H23N3O5/c1-28-18-5-2-15(3-6-18)11-24-13-17-12-23(8-9-25(17)22(24)27)21(26)16-4-7-19-20(10-16)30-14-29-19/h2-7,10,17H,8-9,11-14H2,1H3/t17-/m1/s1 |
| InChI Key | XJVCBSZGUYIEOV-QGZVFWFLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CN2CC3CN(CCN3C2=O)C(=O)C4=CC5=C(C=C4)OCO5 |
| CAS | |
| Splash | |
| Other Names | NAT50-555095 |