Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
SMILES	COC(=O)C(O)C
InChI Key	LPEKGGXMPWTOCB-UHFFFAOYSA-N
Molecular Formula	C4H8O3
Exact Mass	104.105 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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• chmo0000593

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LPEKGGXMPWTOCB-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source	https://www.chemotion-repository.net/inchikey/LPEKGGXMPWTOCB-UHFFFAOYSA-N/CHMO0000593.1
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-28
Related Molecule

Field	Value
Measurement Technique	CHMO:0000593
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:83221	chebi
CHEMBL3183351	chembl
27382	surechembl
11040	pubchem
H10S91526X	fdasrs
104579	brenda
183350	brenda
32289	brenda
69677	brenda
HMDB0254599	hmdb
Molport-003-938-642	molport
The data in this table is sourced from UniChem at EBI.