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

Formula: C13H14N2O3S


Canonical SMILES:
CCOC1=N/C(=C/c2ccc(cc2)[N+](=O)[O-])/SC1C
InChI:
InChI=1S/C13H14N2O3S/c1-3-18-13-9(2)19-12(14-13)8-10-4-6-11(7-5-10)15(16)17/h4-9H,3H2,1-2H3/b12-8-
InChIKey:
MKZKXVUZVQMBSS-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, CDCl3, ppm) δ = 8.24–8.13 (m, 2H), 7.54–7.45 (m, 2H), 6.05 (s, 1H), 4.08 (q, J = 7.1 Hz, 1H), 3.84 (qd, J = 7.3, 1.3 Hz, 2H), 1.66 (dd, J = 7.1, 1.2 Hz, 3H), 1.29 (td, J = 7.2, 1.1 Hz, 3H).
Datasets