(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-furoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
10998
Reference
(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-furoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-(1-Benzothiophen-2-yl)-11-(furan-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference10998
Other Names: NAT11-284161
Formula: C24H20N2O3S
Spectral Data
(1R,9S)-5-(1-Benzothiophen-2-yl)-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 | 103 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2021 9:10:47 AM |
Identificators
| InChI | InChI=1S/C24H20N2O3S/c27-23-18(22-11-16-4-1-2-6-21(16)30-22)7-8-19-17-10-15(13-26(19)23)12-25(14-17)24(28)20-5-3-9-29-20/h1-9,11,15,17H,10,12-14H2/t15-,17+/m0/s1 |
| InChI Key | WPNOEPJJMFIYCO-DOTOQJQBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)C(=O)C6=CC=CO6 |
| CAS | |
| Splash | |
| Other Names | NAT11-284161 |