Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/GDBUZIKSJGRBJP-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:24:51.445489
MetadataModified 2024-09-08T04:24:51.445494
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL131987 ChEMBL
474587 eMolecules
DTXSID1062334 EPA CompTox Dashboard
ZINC000000225517 ZINC
86560 ChEBI
233471 Brenda
CB8351333 ChemicalBook
15462622 PubChem: Thomson Pharma
16865 PubChem
2345-34-8 ACToR
J120.950G Nikkaji
SCHEMBL40184 SureChEMBL
MCULE-5488979007 Mcule
ZEPZAX CCDC
The data in this table is sourced from UniChem at EBI.