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/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
SMILES COc1cc(OC)cc(c1)Cl
InChI Key WQHNWJBSROXROL-UHFFFAOYSA-N
Molecular Formula C8H9ClO2
Exact Mass 172.609 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQHNWJBSROXROL-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/WQHNWJBSROXROL-UHFFFAOYSA-N/CHMO0001148
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:14:29.432514
MetadataModified 2024-09-08T04:14:29.432521
MetadataPublished 2024-07-17
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7262147291 Mcule
CB5358058 ChemicalBook
MUNPAP CCDC
J54.871E Nikkaji
ZINC000000407003 ZINC
DTXSID80220784 EPA CompTox Dashboard
81502 PubChem
20208759 NMRShiftDB
SCHEMBL21263 SureChEMBL
488449 eMolecules
PD020327 ProbesDrugs
16902425 PubChem: Thomson Pharma
7051-16-3 ACToR
The data in this table is sourced from UniChem at EBI.