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
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB8351333 ChemicalBook
474587 eMolecules
16865 PubChem
15462622 PubChem: Thomson Pharma
2345-34-8 ACToR
MCULE-5488979007 Mcule
SCHEMBL40184 SureChEMBL
CHEMBL131987 ChEMBL
86560 ChEBI
J120.950G Nikkaji
233471 Brenda
ZEPZAX CCDC
ZINC000000225517 ZINC
DTXSID1062334 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.