Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
SMILES CCOC(=O)CCC(=O)C
InChI Key GMEONFUTDYJSNV-UHFFFAOYSA-N
Molecular Formula C7H12O3
Exact Mass 144.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMEONFUTDYJSNV-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GMEONFUTDYJSNV-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:25:07.560179
MetadataModified 2024-09-08T04:25:07.560184
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB8186889 ChemicalBook
HMDB0040433 Human Metabolome Database
BKQ PDBe
169371 ChEBI
ZINC000003860971 ZINC
DTXSID8047058 EPA CompTox Dashboard
LEVULINATE rxnorm
ETHYL LEVULINATE rxnorm
10883 PubChem
15237785 PubChem: Thomson Pharma
539-88-8 ACToR
7BU24CSS2G FDA SRS
MCULE-1970388037 Mcule
SCHEMBL92709 SureChEMBL
CHEMBL3182933 ChEMBL
20209193 NMRShiftDB
J1.595D Nikkaji
479607 eMolecules
The data in this table is sourced from UniChem at EBI.