(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11014
Reference
(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(1-Benzofuran-2-ylmethyl)-3-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11014
Other Names: NAT11-289632
Formula: C24H22N2O2S
Spectral Data
(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-3-(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 | 897 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 9:54:21 AM |
Identificators
| InChI | InChI=1S/C24H22N2O2S/c27-23-8-7-20(22-6-3-9-29-22)24-18-10-16(13-26(23)24)12-25(14-18)15-19-11-17-4-1-2-5-21(17)28-19/h1-9,11,16,18H,10,12-15H2/t16-,18+/m0/s1 |
| InChI Key | GDLUKZBMRQOGHO-FUHWJXTLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CS4)CC5=CC6=CC=CC=C6O5 |
| CAS | |
| Splash | |
| Other Names | NAT11-289632 |