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

Formula: C30H43N5


Canonical SMILES:
C[C@H]1CC[C@@H](c2c1cn(n2)C(n1cc2c(n1)[C@H](CC[C@@H]2C)C(C)(C)C)c1ccccn1)C(C)(C)C
InChI:
InChI=1S/C30H43N5/c1-19-12-14-23(29(3,4)5)26-21(19)17-34(32-26)28(25-11-9-10-16-31-25)35-18-22-20(2)13-15-24(27(22)33-35)30(6,7)8/h9-11,16-20,23-24,28H,12-15H2,1-8H3/t19-,20-,23-,24-/m0/s1
InChIKey:
NWKTUCNDIPMMKM-TZYAJKAJSA-N
Exact Mass:
Crosslinks:   


Published on 2021-10-16This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Authors: Fabian Thomas1 - Alexander Hoffmann1 - Sonja Herres-Pawlis

1. Rheinisch Westfälische Technische Hochschule Aachen, Germany

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, CD2Cl2, ppm) δ = 8.58 (qd, 3J = 4.8 Hz, 4J = 0.8 Hz, 1H, H-1), 7.70 (dt, 3J = 8.0 Hz, 4J = 1.6 Hz, 1H, H-3), 7.45 (s, 1H, H-6), 7.27 (m, 3H, H-2, H-7), 6.99 (d, 3J = 7.6 Hz, 1H, H-4), 2.54 (m, 4H, H-10, H-13), 2.01 (m, 2H, H-12), 1.89 (m, 2H, H-11), 1.42 (m, 2H, H-12), 1.22 (m, 2H-11), 1.12 (2xd, 3J = 6.4 Hz, 6H, H-14), 0.99 (2xs, 18H, H-16).
Datasets