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

Formula: C19H23N3O


Canonical SMILES:
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(N)cc2)O
InChI:
InChI=1S/C19H23N3O/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17/h2-5,7,10,12-13,18-19,23H,1,6,8-9,11,20H2/t12-,13-,18-,19+/m0/s1
InChIKey:
PPQWXNWLIDJACB-BIPCEHGGSA-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, DMSO-d6 [2.50ppm], ppm) δ = 10.01 (s, 2H), 8.60 (d, J = 4.4 Hz, 1H), 7.86 (d, J = 9.0 Hz, 1H), 7.42 (d, J = 3.7 Hz, 2H), 7.27 (dd, J = 9.1, 2.6 Hz, 1H), 6.08 (ddd, J = 17.6, 10.3, 7.5 Hz, 1H), 5.63 (s, 1H), 5.09 (m, 3H), 3.01 (m, 2H), 2.68 (m, 1H), 2.59 (m, 2H), 2.18 (q, J = 8.3 Hz, 1H), 1.89 (ddt, J = 13.0, 8.6, 1.9 Hz, 1H), 1.69 (td, J = 4.2, 2.1 Hz, 1H), 1.45 (dt, J = 8.6, 4.4 Hz, 2H), 1.36 (dddd, J = 13.6, 9.2, 4.8, 1.6 Hz, 1H).