Dataset

PEG 2k.

Chemical Information

molecular Image
InChI InChI=1S/C2H4O/c1-2-3-1/h1-2H2
SMILES C1CO1
InChI Key IAYPIBMASNFSPL-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p68.s505.d2535
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D2535
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-14 10:54:04
Related Molecule
  • oxirane
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : 1H , 1H

    NMR spectrum by dimensionality : 2

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

    Temperature : 293.0042 K

    irradiation frequency : 400.15 MHz , 400.15 MHz

    magnetic field strength : 9.398161044985478 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : ledbpgp2s

    Spectral Width : 20.5514009605548 , 20.6192273663652

    number of data points : 7 points

    relaxation time measurement : 5 seconds

    Data-Source Molecule ID Data-Source
    ETHYLENE OXIDE rxnorm
    DUFBOV CCDC
    HMDB0255987 Human Metabolome Database
    J1.942I Nikkaji
    DTXSID0020600 EPA CompTox Dashboard
    C06548 KEGG Ligand
    CHEMBL1743219 ChEMBL
    27561 ChEBI
    15194109 PubChem: Thomson Pharma
    JJH7GNN18P FDA SRS
    9072-62-2 ACToR
    75-21-8 ACToR
    142175-32-4 ACToR
    Ethylene Oxide Atlas
    475739 eMolecules
    MTBLC27561 Metabolights
    20260 Brenda
    37341 Brenda
    CB2709651 ChemicalBook
    10016036 NMRShiftDB
    6354 PubChem
    SCHEMBL3587 SureChEMBL
    The data in this table is sourced from UniChem at EBI.