Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C34H31N/c1-22-4-14-28(15-5-22)32-21-30-24(3)18-23(2)19-33(30)35-34(32)31-20-27-11-10-25-6-8-26(9-7-25)12-16-29(31)17-13-27/h4-9,13-15,17-21H,10-12,16H2,1-3H3
SMILES Cc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key WAFFUKHSOQTNTI-UHFFFAOYSA-N
Molecular Formula C34H31N
Exact Mass 453.617 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WAFFUKHSOQTNTI-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/WAFFUKHSOQTNTI-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5,7-dimethyl-3-(4-methylphenyl)-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 : Feb21-2024

    date : 20240221

    starting time : 22.11 h

    label : KT-739

    id : 296159

    Solvent : chloroform-D1 (CDCl3)

    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.