4-[(8aR)-2-Benzyl-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]-4-oxobutanoic acid
12077
Reference
4-[(8aR)-2-Benzyl-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]-4-oxobutanoic acid Structure
Systematic / IUPAC Name: 4-[(8aR)-2-Benzyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
ID: Reference12077
Other Names: NAT9-324678
Formula: C17H19N3O5
Spectral Data
4-[(8aR)-2-Benzyl-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]-4-oxobutanoic acid 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 | 1009 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/21/2022 7:49:58 AM |
Identificators
| InChI | InChI=1S/C17H19N3O5/c21-14(6-7-15(22)23)18-8-9-19-13(11-18)16(24)20(17(19)25)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,22,23)/t13-/m1/s1 |
| InChI Key | VRYYLYLGLKOHST-CYBMUJFWSA-N |
| Canonical SMILES | C1CN2C(CN1C(=O)CCC(=O)O)C(=O)N(C2=O)CC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT9-324678 |