Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
SMILES [O-]C(=O)C.CCCC[N+](CCCC)(CCCC)CCCC
InChI Key MCZDHTKJGDCTAE-UHFFFAOYSA-M
Exact Mass 301.508 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCZDHTKJGDCTAE-UHFFFAOYSA-M/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/MCZDHTKJGDCTAE-UHFFFAOYSA-M/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-19
Related Molecule
  • tetrabutylazanium;acetate
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : SG-CCP-3763

    date : 20240817

    starting time : 15.37 h

    label : CCP-3582

    id : 321768

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL1079205 chembl
    36122 surechembl
    82707 pubchem
    GSZ9YRQ9UY fdasrs
    163565 brenda
    Molport-003-930-373 molport
    The data in this table is sourced from UniChem at EBI.