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/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
SMILES CCOC(OCC)OCC
InChI Key GKASDNZWUGIAMG-UHFFFAOYSA-N
Molecular Formula C7H16O3
Exact Mass 148.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GKASDNZWUGIAMG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GKASDNZWUGIAMG-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:12:49.767627
MetadataModified 2024-09-08T04:12:49.767632
MetadataPublished 2024-07-12
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
355LRR361Q FDA SRS
122-51-0 ACToR
14747856 PubChem: Thomson Pharma
108055-42-1 ACToR
31214 PubChem
496370 eMolecules
CB4126252 ChemicalBook
MCULE-3222850541 Mcule
SCHEMBL18928 SureChEMBL
10016724 NMRShiftDB
CHEMBL1476236 ChEMBL
DTXSID8041957 EPA CompTox Dashboard
HMDB0259190 Human Metabolome Database
J5.533F Nikkaji
ZINC000000391827 ZINC
The data in this table is sourced from UniChem at EBI.