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/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
SMILES CC(=O)Oc1ccc(cc1)C(=O)O
InChI Key GDBUZIKSJGRBJP-UHFFFAOYSA-N
Molecular Formula C9H8O4
Exact Mass 180.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GDBUZIKSJGRBJP-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GDBUZIKSJGRBJP-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:24:55.866647
MetadataModified 2024-09-08T04:24:55.866652
MetadataPublished 2024-08-07
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL40184 SureChEMBL
MCULE-5488979007 Mcule
15462622 PubChem: Thomson Pharma
16865 PubChem
2345-34-8 ACToR
474587 eMolecules
CHEMBL131987 ChEMBL
233471 Brenda
86560 ChEBI
ZEPZAX CCDC
J120.950G Nikkaji
DTXSID1062334 EPA CompTox Dashboard
ZINC000000225517 ZINC
CB8351333 ChemicalBook
The data in this table is sourced from UniChem at EBI.