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

Formula: C12H12N2O3


Canonical SMILES:
O=C(Nc1ccc2c(c1)[nH]cc2)CCC(=O)O
InChI:
InChI=1S/C12H12N2O3/c15-11(3-4-12(16)17)14-9-2-1-8-5-6-13-10(8)7-9/h1-2,5-7,13H,3-4H2,(H,14,15)(H,16,17)
InChIKey:
QPAHTTFCCFCZPE-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2023-07-31No License

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Niklas Krappel1

1. IBCS-FMS, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Methanol-d4 [4.87 ppm], ppm) δ = 7.85 (t, J = 0.9 Hz, 1H, 7-H), 7.47 (d, J = 8.6 Hz, 1H, 4-H), 7.20 (d, J = 3.2 Hz, 1H, 2-H), 7.00 (dd, J = 1.8 Hz, J = 8.4 Hz, 1H, 5-H), 6.40 (dd, J = 0.8 Hz, J = 3.1 Hz, 1H, 3-H), 2.73 (s, 4H). COOH, Indole-NH and Amide-NH Protons (3H) are not visible due to H/D-exchange in Methanol-d4.
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