Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
SMILES O1CCOCCOCCOCCOCCOCC1
InChI Key XEZNGIUYQVAUSS-UHFFFAOYSA-N
Exact Mass 264.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XEZNGIUYQVAUSS-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/XEZNGIUYQVAUSS-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • 1,4,7,10,13,16-hexaoxacyclooctadecane
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Title : GH_17455-13-9_CDCl3

    Date : 20240726

    Starting time : 3.09 h

    label : GEH-64

    id : 119780

    Solvent used for referencing : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : AVIII300

    Data-Source Molecule ID Data-Source
    CHEBI:32397 chebi
    O4B rcsb_pdb
    CHEMBL155204 chembl
    1119 surechembl
    28557 pubchem
    63J177NC5B fdasrs
    HOXOCD CCDC
    O4B - Ideal conformer pdbe
    HMDB0244804 hmdb
    Molport-000-872-046 molport
    50530238 bindingdb
    The data in this table is sourced from UniChem at EBI.