Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C44H34N2O2/c1-43(2)33-13-5-9-17-37(33)45(38-18-10-6-14-34(38)43)27-21-23-29-31(25-27)32-26-28(22-24-30(32)42(48)41(29)47)46-39-19-11-7-15-35(39)44(3,4)36-16-8-12-20-40(36)46/h5-26H,1-4H3
SMILES O=C1C(=O)c2ccc(cc2-c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key KFWFIYQIOKSGQL-UHFFFAOYSA-N
Molecular Formula C44H34N2O2
Exact Mass 622.753 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KFWFIYQIOKSGQL-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/KFWFIYQIOKSGQL-UHFFFAOYSA-N/CHMO0000601
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-25
Related Molecule
  • 3,6-bis(9,9-dimethylacridin-10-yl)phenanthrene-9,10-dione
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : Sep09-2024

    date : 20240910

    starting time : 3.34 h

    label : JSH-162

    id : 314888

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hmbcgplpndqf

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.