Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C24H21N/c1-2-4-23-21(3-1)16-24(25-23)22-15-19-10-9-17-5-7-18(8-6-17)11-13-20(22)14-12-19/h1-8,12,14-16,25H,9-11,13H2
SMILES c1ccc2c(c1)[nH]c(c2)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key UMEUUBQHJXGOAF-UHFFFAOYSA-N
Molecular Formula C24H21N
Exact Mass 323.430 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMEUUBQHJXGOAF-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/UMEUUBQHJXGOAF-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1H-indole
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Dec20-2023

    date : 20231221

    starting time : 3.44 h

    label : KT-603

    id : 288666

    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.