Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C43H42N4O5/c1-5-6-7-8-9-12-25-52-41-38(46-36-13-10-11-14-37(36)47-41)24-23-35-28(2)44-39-26-33(29-15-19-31(20-16-29)42(48)50-3)34(27-40(39)45-35)30-17-21-32(22-18-30)43(49)51-4/h10-11,13-24,26-27H,5-9,12,25H2,1-4H3/b24-23+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C)c1ccc(cc1)C(=O)OC
InChI Key HWMPTXVSJYPNEX-WCWDXBQESA-N
Molecular Formula C43H42N4O5
Exact Mass 694.817 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000593
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-octoxyquinoxalin-2-yl)ethenyl]quinoxalin-6-yl]benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197197 PubChem
    The data in this table is sourced from UniChem at EBI.