(1R,9S)-11-(Cyclohexylcarbonyl)-5-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13186
Reference
(1R,9S)-11-(Cyclohexylcarbonyl)-5-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(Cyclohexanecarbonyl)-5-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13186
Other Names: NAT11-283683
Formula: C25H30N2O3
Spectral Data
(1R,9S)-11-(Cyclohexylcarbonyl)-5-(4-methoxyphenyl)-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 | 480 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/14/2024 1:51:36 PM |
Identificators
| InChI | InChI=1S/C25H30N2O3/c1-30-21-9-7-18(8-10-21)22-11-12-23-20-13-17(15-27(23)25(22)29)14-26(16-20)24(28)19-5-3-2-4-6-19/h7-12,17,19-20H,2-6,13-16H2,1H3/t17-,20+/m0/s1 |
| InChI Key | UOAMQYZLEBIPKW-FXAWDEMLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C(=O)C5CCCCC5)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-283683 |