(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-hydroxybenzyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
10996
Reference
(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-hydroxybenzyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-11-[(2-hydroxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference10996
Other Names: NAT11-287167
Formula: C26H25ClN2O2
Spectral Data
(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(2-hydroxybenzyl)-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 | 933 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2021 9:05:28 AM |
Identificators
| InChI | InChI=1S/C26H25ClN2O2/c27-23-10-6-18(7-11-23)5-8-20-9-12-24-22-13-19(15-29(24)26(20)31)14-28(17-22)16-21-3-1-2-4-25(21)30/h1-12,19,22,30H,13-17H2/b8-5+/t19-,22+/m0/s1 |
| InChI Key | OCRLTGKMKFAJJW-UDMIBOSNSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C=CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5O |
| CAS | |
| Splash | |
| Other Names | NAT11-287167 |