Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
SMILES CCOC(=O)C(O)C
InChI Key LZCLXQDLBQLTDK-UHFFFAOYSA-N
Molecular Formula C5H10O3
Exact Mass 118.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LZCLXQDLBQLTDK-UHFFFAOYSA-N/CHMO0000593.4
License URL
Source https://www.chemotion-repository.net/inchikey/LZCLXQDLBQLTDK-UHFFFAOYSA-N/CHMO0000593.4
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:78321 chebi
CHEMBL3186323 chembl
22598 surechembl
7344 pubchem
F3P750VW8I fdasrs
104578 brenda
106042 brenda
106047 brenda
170811 brenda
21601 brenda
244533 brenda
61267 brenda
HMDB0040735 hmdb
Molport-003-987-137 molport
The data in this table is sourced from UniChem at EBI.