(1R,9S)-5-(4-Chlorophenyl)-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13213
Reference
(1R,9S)-5-(4-Chlorophenyl)-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-(4-Chlorophenyl)-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13213
Other Names: NAT11-283991
Formula: C25H23ClN2O3
Spectral Data
(1R,9S)-5-(4-Chlorophenyl)-11-(phenoxyacetyl)-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 | 2670 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/4/2024 11:48:11 AM |
Identificators
| InChI | InChI=1S/C25H23ClN2O3/c26-20-8-6-18(7-9-20)22-10-11-23-19-12-17(14-28(23)25(22)30)13-27(15-19)24(29)16-31-21-4-2-1-3-5-21/h1-11,17,19H,12-16H2/t17-,19+/m0/s1 |
| InChI Key | RAFOTHSNTUQJPU-PKOBYXMFSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)Cl)C(=O)COC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-283991 |