(1R,9S)-5-Cyclohexyl-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11032
Reference
(1R,9S)-5-Cyclohexyl-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-Cyclohexyl-11-(4-methoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11032
Other Names: NAT11-285058
Formula: C25H30N2O3
Spectral Data
(1R,9S)-5-Cyclohexyl-11-(4-methoxybenzoyl)-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 | 602 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 8:23:35 AM |
Identificators
| InChI | InChI=1S/C25H30N2O3/c1-30-21-9-7-19(8-10-21)24(28)26-14-17-13-20(16-26)23-12-11-22(25(29)27(23)15-17)18-5-3-2-4-6-18/h7-12,17-18,20H,2-6,13-16H2,1H3/t17-,20+/m0/s1 |
| InChI Key | KNJLKQPQTIDHLM-FXAWDEMLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5CCCCC5 |
| CAS | |
| Splash | |
| Other Names | NAT11-285058 |