4-{[(8aR)-2-(2-Methoxyethyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzoic acid
11842
Reference
4-{[(8aR)-2-(2-Methoxyethyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(8aR)-2-(2-Methoxyethyl)-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]benzoic acid
ID: Reference11842
Other Names: NAT50-557532
Formula: C17H23N3O4
Spectral Data
4-{[(8aR)-2-(2-Methoxyethyl)-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 | 1514 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/10/2022 2:07:14 PM |
Identificators
| InChI | InChI=1S/C17H23N3O4/c1-24-9-8-19-12-15-11-18(6-7-20(15)17(19)23)10-13-2-4-14(5-3-13)16(21)22/h2-5,15H,6-12H2,1H3,(H,21,22)/t15-/m1/s1 |
| InChI Key | LRWJURRZZRWXNU-OAHLLOKOSA-N |
| Canonical SMILES | COCCN1CC2CN(CCN2C1=O)CC3=CC=C(C=C3)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT50-557532 |