3-[(1R,9S)-11-(2-Furoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile
13221
Reference
3-[(1R,9S)-11-(2-Furoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile Structure
Systematic / IUPAC Name: 3-[(1R,9S)-11-(Furan-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile
ID: Reference13221
Other Names: NAT11-289218
Formula: C23H19N3O3
Spectral Data
3-[(1R,9S)-11-(2-Furoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile 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 | 1480 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/11/2024 9:09:02 AM |
Identificators
| InChI | InChI=1S/C23H19N3O3/c24-11-15-3-1-4-17(9-15)19-6-7-21(27)26-13-16-10-18(22(19)26)14-25(12-16)23(28)20-5-2-8-29-20/h1-9,16,18H,10,12-14H2/t16-,18+/m0/s1 |
| InChI Key | WRVWIOPNLSRZKN-FUHWJXTLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC(=C4)C#N)C(=O)C5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT11-289218 |