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

Formula: C106H80N10


Canonical SMILES:
Cc1cc(c(cc1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI:
InChI=1S/C106H80N10/c1-61-51-74(64-54-88-102(108-60-64)112-100-72-50-46-68(116-95-41-25-17-33-85(95)106(9,10)86-34-18-26-42-96(86)116)58-78(72)76-56-66(44-48-70(76)98(100)110-88)114-91-37-21-13-29-81(91)104(5,6)82-30-14-22-38-92(82)114)62(2)52-73(61)63-53-87-101(107-59-63)111-99-71-49-45-67(115-93-39-23-15-31-83(93)105(7,8)84-32-16-24-40-94(84)115)57-77(71)75-55-65(43-47-69(75)97(99)109-87)113-89-35-19-11-27-79(89)103(3,4)80-28-12-20-36-90(80)113/h11-60H,1-10H3
InChIKey:
DMZUOABUOWFVOT-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2024-11-25This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

1H nuclear magnetic resonance spectroscopy (1H NMR) 
Author: Jason Hofmann1

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

Analysis DOI:
Analysis ID:
Content:   
1H NMR (400 MHz, Chloroform-d, ppm) δ =9.91 (d, J = 8.5 Hz, 2H), 9.74 (d, J = 8.5 Hz, 2H), 9.51 (d, J = 2.5 Hz, 2H), 8.83 (d, J = 2.5 Hz, 2H), 8.47 (t, J = 1.9 Hz, 4H), 7.82 (td, J = 8.7, 1.9 Hz, 4H), 7.61 (s, 2H), 7.50–7.46 (m, 8H), 6.97–6.92 (m, 16H), 6.37–6.33 (m, 8H), 2.61 (s, 6H), 1.73 (s, 24H). Impurities: water at 1.58 ppm and traces of unknown impurities at 1.34 and 1.25 ppm.
Datasets