Dataset

PEG 10k.1d

Chemical Info

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

Data and Resources

• PEG 10k.1dHTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p68.s508.d2567
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2567
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T16:25:15.958282
MetadataModified	2025-02-03T16:25:15.958288
MetadataPublished	2024-06-14 10:54:04

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 : 298.1542 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
J1.942I	Nikkaji
HMDB0255987	Human Metabolome Database
DUFBOV	CCDC
ETHYLENE OXIDE	rxnorm
DTXSID0020600	EPA CompTox Dashboard
C06548	KEGG Ligand
CHEMBL1743219	ChEMBL
27561	ChEBI
9072-62-2	ACToR
JJH7GNN18P	FDA SRS
Ethylene Oxide	Atlas
15194109	PubChem: Thomson Pharma
142175-32-4	ACToR
75-21-8	ACToR
SCHEMBL3587	SureChEMBL
6354	PubChem
10016036	NMRShiftDB
MTBLC27561	Metabolights
37341	Brenda
20260	Brenda
CB2709651	ChemicalBook
475739	eMolecules
The data in this table is sourced from UniChem at EBI.