4-{[(1R,9S)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile
13211
Reference
4-{[(1R,9S)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile Structure
Systematic / IUPAC Name: 4-[(1R,9S)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzonitrile
ID: Reference13211
Other Names: NAT11-291113
Formula: C25H21N3O2
Spectral Data
4-{[(1R,9S)-6-Oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile 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 | 1015 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/4/2024 11:46:46 AM |
Identificators
| InChI | InChI=1S/C25H21N3O2/c26-13-17-6-8-20(9-7-17)25(30)27-14-18-12-21(16-27)24-22(19-4-2-1-3-5-19)10-11-23(29)28(24)15-18/h1-11,18,21H,12,14-16H2/t18-,21+/m0/s1 |
| InChI Key | HUSGWABHFQXGLP-GHTZIAJQSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-291113 |