(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-pyridinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12232
Reference
(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-pyridinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-11-(pyridin-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12232
Other Names: NAT11-287153
Formula: C25H24ClN3O
Spectral Data
(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-pyridinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 | 2/9/2023 8:59:54 PM |
Identificators
| InChI | InChI=1S/C25H24ClN3O/c26-22-9-5-18(6-10-22)4-7-20-8-11-24-21-13-19(15-29(24)25(20)30)14-28(16-21)17-23-3-1-2-12-27-23/h1-12,19,21H,13-17H2/b7-4+/t19-,21+/m0/s1 |
| InChI Key | OEPJMBSJAJUBFK-ZJXRNUBLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C=CC4=CC=C(C=C4)Cl)CC5=CC=CC=N5 |
| CAS | |
| Splash | |
| Other Names | NAT11-287153 |