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

Formula: C13H16N2OS


Canonical SMILES:
CCOC1=N/C(=C/c2ccc(cc2)N)/SC1C
InChI:
InChI=1S/C13H16N2OS/c1-3-16-13-9(2)17-12(15-13)8-10-4-6-11(14)7-5-10/h4-9H,3,14H2,1-2H3/b12-8-
InChIKey:
XCRKWENUDQQROP-WQLSENKSSA-N
Exact Mass:
Crosslinks:   


Published on 2023-11-07No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Henrike Zacher1 - Eric Täuscher2

1. Fachgebiet Chemie, Technische Universität Ilmenau, Deutschland

2. Chemie und Biotechnik, Technische Universität Ilmenau, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (300 MHz, Chloroform-d [7.26 ppm], ppm) δ = 7.20–7.18 (m, 2H), 6.69–6.66 (m, 2H), 5.93 (d, J = 2.6 Hz, 1H), 4.77 (s, 2H), 4.02 (qd, J = 7.0, 2.6 Hz, 1H), 3.76 (qd, J = 7.1, 2.6 Hz, 2H), 1.62 (dd, J = 7.1, 2.8 Hz, 3H), 1.25 (td, J = 7.3, 2.8 Hz, 3H).
Datasets