Ethyl 4-[(8aS)-6,8-dioxo-4,8,8a,9-tetrahydro-1H-diimidazo[1,5-a:4',5'-d]pyridin-7(6H)-yl]benzoate
11670
Reference
Ethyl 4-[(8aS)-6,8-dioxo-4,8,8a,9-tetrahydro-1H-diimidazo[1,5-a:4',5'-d]pyridin-7(6H)-yl]benzoate Structure
Systematic / IUPAC Name: Ethyl 4-[(9S)-10,12-dioxo-1,4,6,11-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5-dien-11-yl]benzoate
ID: Reference11670
Other Names: NAT22-346655
Formula: C17H16N4O4
Spectral Data
Ethyl 4-[(8aS)-6,8-dioxo-4,8,8a,9-tetrahydro-1H-diimidazo[1,5-a:4',5'-d]pyridin-7(6H)-yl]benzoate 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 | 1990 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/19/2022 7:27:53 AM |
Identificators
| InChI | InChI=1S/C17H16N4O4/c1-2-25-16(23)10-3-5-11(6-4-10)21-15(22)14-7-12-13(19-9-18-12)8-20(14)17(21)24/h3-6,9,14H,2,7-8H2,1H3,(H,18,19)/t14-/m0/s1 |
| InChI Key | ZUDPHMWMLZLBMG-AWEZNQCLSA-N |
| Canonical SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC4=C(CN3C2=O)NC=N4 |
| CAS | |
| Splash | |
| Other Names | NAT22-346655 |