Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C=O)c1ccc(cc1)C(=O)OC)c1ccccc1
InChI Key LCHRVGBGMUEFLV-VPHDGDOJSA-N
Molecular Formula C65H54N6O6
Exact Mass 1015.161 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LCHRVGBGMUEFLV-VPHDGDOJSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/LCHRVGBGMUEFLV-VPHDGDOJSA-N/CHMO0000596
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • methyl 4-[2-formyl-7-(4-methoxycarbonylphenyl)-3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxalin-6-yl]benzoate
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197201 PubChem
    The data in this table is sourced from UniChem at EBI.