(1R,9S)-11-(4-Fluorobenzyl)-3-[4-(methylsulfanyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12323
Reference
(1R,9S)-11-(4-Fluorobenzyl)-3-[4-(methylsulfanyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-[(4-Fluorophenyl)methyl]-3-(4-methylsulfanylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12323
Other Names: NAT11-289915
Formula: C25H25FN2OS
Spectral Data
(1R,9S)-11-(4-Fluorobenzyl)-3-[4-(methylsulfanyl)phenyl]-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 | 2673 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/2/2023 7:25:37 PM |
Identificators
| InChI | InChI=1S/C25H25FN2OS/c1-30-22-8-4-19(5-9-22)23-10-11-24(29)28-15-18-12-20(25(23)28)16-27(14-18)13-17-2-6-21(26)7-3-17/h2-11,18,20H,12-16H2,1H3/t18-,20+/m0/s1 |
| InChI Key | ICSZLFRITWDIEH-AZUAARDMSA-N |
| Canonical SMILES | CSC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CC5=CC=C(C=C5)F)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-289915 |