Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C65H56N6O5/c1-5-6-7-8-9-18-37-76-63-58(68-54-23-16-17-24-55(54)71-63)36-35-57-56(69-61-39-49(43-19-12-10-13-20-43)50(40-62(61)70-57)44-21-14-11-15-22-44)34-33-53-42(2)66-59-38-51(45-25-29-47(30-26-45)64(72)74-3)52(41-60(59)67-53)46-27-31-48(32-28-46)65(73)75-4/h10-17,19-36,38-41H,5-9,18,37H2,1-4H3/b34-33+,36-35+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C)c1ccc(cc1)C(=O)OC)c1ccccc1
InChI Key GTLCGGWORFMIIL-WXBFSDFVSA-N
Molecular Formula C65H56N6O5
Exact Mass 1001.177 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GTLCGGWORFMIIL-WXBFSDFVSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • methyl 4-[7-(4-methoxycarbonylphenyl)-3-methyl-2-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxalin-6-yl]benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197176 PubChem
    The data in this table is sourced from UniChem at EBI.