Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C31H24ClN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2
SMILES Clc1cccc(c1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key ZMNGZXQVAJHOGB-UHFFFAOYSA-N
Molecular Formula C31H24ClN
Exact Mass 445.982 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZMNGZXQVAJHOGB-UHFFFAOYSA-N/CHMO0000604.2
License URL
Source https://www.chemotion-repository.net/inchikey/ZMNGZXQVAJHOGB-UHFFFAOYSA-N/CHMO0000604.2
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 3-(3-chlorophenyl)-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 : Mar14-2024

    date : 20240315

    starting time : 4.42 h

    label : KT-801

    id : 298969

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    171392083 pubchem
    The data in this table is sourced from UniChem at EBI.