(1R,9S)-3-(4-Methoxyphenyl)-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13085
Reference
(1R,9S)-3-(4-Methoxyphenyl)-11-(2-thienylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-3-(4-Methoxyphenyl)-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13085
Other Names: NAT11-287357
Formula: C23H22N2O3S
Spectral Data
(1R,9S)-3-(4-Methoxyphenyl)-11-(2-thienylcarbonyl)-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 | 1237 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/5/2024 12:41:06 PM |
Identificators
| InChI | InChI=1S/C23H22N2O3S/c1-28-18-6-4-16(5-7-18)19-8-9-21(26)25-13-15-11-17(22(19)25)14-24(12-15)23(27)20-3-2-10-29-20/h2-10,15,17H,11-14H2,1H3/t15-,17+/m0/s1 |
| InChI Key | RAZXGRGSPVMGQO-DOTOQJQBSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2=C3C4CC(CN(C4)C(=O)C5=CC=CS5)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-287357 |