4-[(8aR)-2-(4-Methylbenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]-4-oxobutanoic acid
12631
Reference
4-[(8aR)-2-(4-Methylbenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]-4-oxobutanoic acid Structure
Systematic / IUPAC Name: 4-[(8aR)-2-[(4-Methylphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
ID: Reference12631
Other Names: NAT50-555378
Formula: C18H23N3O4
Spectral Data
4-[(8aR)-2-(4-Methylbenzyl)-3-oxohexahydroimidazo[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 | 1586 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/6/2023 11:05:11 AM |
Identificators
| InChI | InChI=1S/C18H23N3O4/c1-13-2-4-14(5-3-13)10-20-12-15-11-19(8-9-21(15)18(20)25)16(22)6-7-17(23)24/h2-5,15H,6-12H2,1H3,(H,23,24)/t15-/m1/s1 |
| InChI Key | YTCZKGWQRINAKD-OAHLLOKOSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)CN2CC3CN(CCN3C2=O)C(=O)CCC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT50-555378 |