(1R,9S)-5-(4-Chlorophenyl)-11-(2-furoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13187
Reference
(1R,9S)-5-(4-Chlorophenyl)-11-(2-furoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-(4-Chlorophenyl)-11-(furan-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13187
Other Names: NAT11-283981
Formula: C22H19ClN2O3
Spectral Data
(1R,9S)-5-(4-Chlorophenyl)-11-(2-furoyl)-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 | 1925 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2024 1:52:11 PM |
Identificators
| InChI | InChI=1S/C22H19ClN2O3/c23-17-5-3-15(4-6-17)18-7-8-19-16-10-14(12-25(19)21(18)26)11-24(13-16)22(27)20-2-1-9-28-20/h1-9,14,16H,10-13H2/t14-,16+/m0/s1 |
| InChI Key | UEXMKPITTIFPMO-GOEBONIOSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT11-283981 |