Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
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 |
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. |