Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2
SMILES c1ccc(cc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key CKTSOYZVZNKWSS-UHFFFAOYSA-N
Molecular Formula C31H25N
Exact Mass 411.537 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CKTSOYZVZNKWSS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/CKTSOYZVZNKWSS-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-phenyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)quinoline
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Jan15-2024

    date : 20240116

    starting time : 4.47 h

    label : KT-636

    id : 289812

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

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