Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3
SMILES COc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccccc1
InChI Key VTBRCGKGKFRWJI-UHFFFAOYSA-N
Molecular Formula C32H27NO
Exact Mass 441.563 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 6-methoxy-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 : Feb14-2024

    date : 20240215

    starting time : 2.54 h

    label : KT-713

    id : 295005

    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.