(1R,9R)-11-(Phenylsulfonyl)-5-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13097
Reference
(1R,9R)-11-(Phenylsulfonyl)-5-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-11-(Benzenesulfonyl)-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13097
Other Names: NAT11-284082
Formula: C21H20N2O3S2
Spectral Data
(1R,9R)-11-(Phenylsulfonyl)-5-(2-thienyl)-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 | 1905 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/9/2024 2:26:30 PM |
Identificators
| InChI | InChI=1S/C21H20N2O3S2/c24-21-18(20-7-4-10-27-20)8-9-19-16-11-15(13-23(19)21)12-22(14-16)28(25,26)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2/t15-,16+/m0/s1 |
| InChI Key | NETWXPOXAAMCBP-JKSUJKDBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CS4)S(=O)(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-284082 |