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

Formula: C30H38N4O4


Canonical SMILES:
CCCCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2[C@@H](C1=O)CCC2)Cc1ccccc1
InChI:
InChI=1S/C30H38N4O4/c1-2-3-10-17-33-21-27(35)31-24(19-22-12-6-4-7-13-22)28(36)32-25(20-23-14-8-5-9-15-23)29(37)34-18-11-16-26(34)30(33)38/h4-9,12-15,24-26H,2-3,10-11,16-21H2,1H3,(H,31,35)(H,32,36)/t24-,25-,26+/m0/s1
InChIKey:
LHNYJWCUQPWKRA-KKUQBAQOSA-N
Exact Mass:
Crosslinks:   


Published on 2021-09-23This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

13C nuclear magnetic resonance spectroscopy (13C NMR) 
Author: Claudine Herlan1

1. Institute of Organic Chemistry, Karlsruhe Institute of Technology, Germany

Analysis DOI:
Analysis ID:
Content:   
13C NMR (125 MHz, acetonitrile, ppm): δ = 173.0 (Cq, CON), 172.8 (Cq, CON), 168.2 (Cq, 2 × CON), 139.6 (Cq, phe-Car), 137.7 (Cq, phe-Car), 130.8 (+, 2 × phe-CH), 130.7 (+, 2 × phe-CH), 129.6 (+, 2 × phe-CH), 128.8 (+, 2 × phe-CH), 127.9 (+, phe-CH), 127.0 (+, phe-CH), 65.3 (+, pro-CαH), 57.2 (+, phe-CαH), 51.8 (+, phe-CαH), 50.2 (–, 2C, N4m-COCH2N, N4m-C1H2), 47.3 (–, pro-CδH2), 38.2 (–, phe-CH2), 38.1 (–, phe-CH2), 29.8 (–, N4m-C2H2), 27.1 (–, N4m-C3H2), 26.7 (–, pro-CβH2), 23.1 (–, N4m-C4H2), 23.0 (–, pro-CγH2), 14.3 (+, N4m-CH3). The spectrum contains multiple signal sets. Chemical shifts of the most prominent isomer are given.
Datasets