This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C19H22N2O


Canonical SMILES:
C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)O
InChI:
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
InChIKey:
KMPWYEUPVWOPIM-KODHJQJWSA-N
Exact Mass:
Crosslinks:   


Published on 2024-11-28This work is licensed under a Creative Commons Attribution 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Kevin Roberto Denz1 - Johannes Liermann2

1. Uni-Mainz, Germany

2. Johannes Gutenberg-Universität Mainz, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d [7.26 ppm], ppm) δ = 8.76 (d, J = 4.5 Hz, 1H), 8.06 (dd, J = 8.6, 1.2 Hz, 1H), 7.93 (dd, J = 8.6, 1.3 Hz, 1H), 7.62 (ddd, J = 8.4, 6.8, 1.3 Hz, 1H), 7.56 (d, J = 4.5 Hz, 1H), 7.33 (ddd, J = 8.3, 6.8, 1.3 Hz, 1H), 5.69 (ddd, J = 17.1, 10.3, 7.6 Hz, 1H), 5.64 (d, J = 3.9 Hz, 1H), 4.90 (m, 2H), 4.73 (s, 1H), 3.47 (dddd, J = 13.0, 10.1, 5.1, 2.5 Hz, 1H), 3.08 (dd, J = 8.3, 3.6 Hz, 1H), 3.02 (dd, J = 13.6, 10.1 Hz, 1H), 2.59 (m, 2H), 2.23 (m, 1H), 1.79 (d, J = 2.5 Hz, 1H), 1.76 (m, 1H), 1.71 (dd, J = 15.0, 3.2 Hz, 1H), 1.47 (tdd, J = 12.5, 6.6, 3.5 Hz, 2H)