4-{[(8aR)-2-(4-Fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzoic acid
12727
Reference
4-{[(8aR)-2-(4-Fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(8aR)-2-[(4-Fluorophenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]benzoic acid
ID: Reference12727
Other Names: NAT50-556952
Formula: C21H22FN3O3
Spectral Data
4-{[(8aR)-2-(4-Fluorobenzyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzoic 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 | 1843 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/21/2023 8:18:47 AM |
Identificators
| InChI | InChI=1S/C21H22FN3O3/c22-18-7-3-16(4-8-18)12-24-14-19-13-23(9-10-25(19)21(24)28)11-15-1-5-17(6-2-15)20(26)27/h1-8,19H,9-14H2,(H,26,27)/t19-/m1/s1 |
| InChI Key | LXXHNSREYBSANX-LJQANCHMSA-N |
| Canonical SMILES | C1CN2C(CN1CC3=CC=C(C=C3)C(=O)O)CN(C2=O)CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT50-556952 |