3-({(1R,9S)-3-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}methyl)benzonitrile
11990
Reference
3-({(1R,9S)-3-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}methyl)benzonitrile Structure
Systematic / IUPAC Name: 3-[[(1R,9S)-3-[(E)-2-(4-Chlorophenyl)ethenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzonitrile
ID: Reference11990
Other Names: NAT11-290165
Formula: C27H24ClN3O
Spectral Data
3-({(1R,9S)-3-[(E)-2-(4-Chlorophenyl)vinyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}methyl)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 | 1888 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/25/2022 5:08:44 PM |
Identificators
| InChI | InChI=1S/C27H24ClN3O/c28-25-9-5-19(6-10-25)4-7-23-8-11-26(32)31-17-22-13-24(27(23)31)18-30(16-22)15-21-3-1-2-20(12-21)14-29/h1-12,22,24H,13,15-18H2/b7-4+/t22-,24+/m0/s1 |
| InChI Key | FKLVFIYQJNKFQU-YYLDKTNSSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C=CC4=CC=C(C=C4)Cl)CC5=CC(=CC=C5)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-290165 |