Methyl [(8aR)-2-(4-fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl](oxo)acetate
11620
Reference
Methyl [(8aR)-2-(4-fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl](oxo)acetate Structure
Systematic / IUPAC Name: Methyl 2-[(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-2-oxoacetate
ID: Reference11620
Other Names: NAT50-554954
Formula: C16H18FN3O4
Spectral Data
Methyl [(8aR)-2-(4-fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl](oxo)acetate 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 | 1084 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/2/2022 8:12:01 AM |
Identificators
| InChI | InChI=1S/C16H18FN3O4/c1-24-15(22)14(21)18-6-7-20-13(9-18)10-19(16(20)23)8-11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m1/s1 |
| InChI Key | MKUMMRCGOGHKRY-CYBMUJFWSA-N |
| Canonical SMILES | COC(=O)C(=O)N1CCN2C(C1)CN(C2=O)CC3=CC=C(C=C3)F |
| CAS | |
| Splash | |
| Other Names | NAT50-554954 |