(1R,9R)-11-[(4-Chlorophenyl)sulfonyl]-3-[(1E)-1-propen-1-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12261
Reference
(1R,9R)-11-[(4-Chlorophenyl)sulfonyl]-3-[(1E)-1-propen-1-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-11-(4-Chlorophenyl)sulfonyl-3-[(E)-prop-1-enyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12261
Other Names: NAT11-289082
Formula: C20H21ClN2O3S
Spectral Data
(1R,9R)-11-[(4-Chlorophenyl)sulfonyl]-3-[(1E)-1-propen-1-yl]-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 | 1844 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:43:32 AM |
Identificators
| InChI | InChI=1S/C20H21ClN2O3S/c1-2-3-15-4-9-19(24)23-12-14-10-16(20(15)23)13-22(11-14)27(25,26)18-7-5-17(21)6-8-18/h2-9,14,16H,10-13H2,1H3/b3-2+/t14-,16+/m0/s1 |
| InChI Key | GHQHWOZVXABQJO-OZRQEOMLSA-N |
| Canonical SMILES | CC=CC1=C2C3CC(CN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl)CN2C(=O)C=C1 |
| CAS | |
| Splash | |
| Other Names | NAT11-289082 |