Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C33H28N2O2/c1-21-17-22(2)29-20-31(27-13-15-28(16-14-27)35(36)37)33(34-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3
SMILES Cc1cc(C)c2c(c1)nc(c(c2)c1ccc(cc1)[N+](=O)[O-])c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key RCTOFKKNQOEIDV-UHFFFAOYSA-N
Molecular Formula C33H28N2O2
Exact Mass 484.588 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RCTOFKKNQOEIDV-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/RCTOFKKNQOEIDV-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5,7-dimethyl-3-(4-nitrophenyl)-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 : Feb27-2024

    date : 20240228

    starting time : 0.06 h

    label : KT-762

    id : 296953

    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.