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.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Authors: Fabian Thomas1 - Alexander Hoffmann1 - Sonja Herres-Pawlis

1. Rheinisch Westfälische Technische Hochschule Aachen, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (100 MHz, CD2Cl2, ppm) δ = 157.0 (C-5), 152.7 (d, 2C, C-8), 149.9 (C-1), 137.3 (C-3), 126.0 (d, 2C, C-9), 125.9 (d, 2C, C-7), 124.0 (C-2), 122.6 (C-4), 79.4 (C-6), 45.5 (d, 2C, C-12), 34.6 (d, 2C, C-15), 33.9 (d, 2C, C-11), 29.0 (2C, C-10), 28.3 (6C, C-16), 26.8 (d, 2C, C-13), 21.7 (d, 2C, C-14).
Datasets