Dataset

PEG 2k.

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

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p68.s505.d2531
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2531
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:46:10.239946
MetadataModified	2025-02-03T15:46:10.239953
MetadataPublished	2024-06-14 10:54:04
Related Molecule

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 : 310.001 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.