Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C23H26/c1-3-20-21(4-2)23(20)22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h5-8,12,14-15,23H,3-4,9-11,13H2,1-2H3
SMILES CCC1=C(C1c1cc2ccc1CCc1ccc(CC2)cc1)CC
InChI Key NQMGUYIZDFQTKU-UHFFFAOYSA-N
Exact Mass 302.453 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQMGUYIZDFQTKU-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/NQMGUYIZDFQTKU-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
  • nfdi4chem-mol8382 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Nov11-2024

    date : 20241111

    starting time : 22.12 h

    label : KT-1206

    id : 332850

    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.