Dataset

PEG 2k[80]

Chemical Information

molecular Image
InChI InChI=1S/C2H4O/c1-2-3-1/h1-2H2
SMILES C1CO1
InChI Key IAYPIBMASNFSPL-UHFFFAOYSA-N
Molecular Formula C2H4O
Exact Mass 44.050 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s505.d2524
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2524
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-14T10:54:04.000000Z
Related Molecule
  • oxirane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP)

    Temperature : 299.7234 K

    magnetic field strength : 9.398161044985478 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 30.0366276301356

    number of data points : 9 points

    relaxation time measurement : 0.1 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:27561 chebi
    CHEMBL1743219 chembl
    3587 surechembl
    973217 surechembl
    6354 pubchem
    JJH7GNN18P fdasrs
    PD197668 probes_and_drugs
    DUFBOV CCDC
    20260 brenda
    37341 brenda
    HMDB0255987 hmdb
    The data in this table is sourced from UniChem at EBI.