Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
SMILES CC(c1cc(O)c(cc1Cl)C)C
InChI Key AFFXNOIULZQAML-UHFFFAOYSA-N
Molecular Formula C10H13ClO
Exact Mass 184.663 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:16:34.155990
MetadataModified 2024-09-07T20:43:00.440653
MetadataPublished 2021-11-25
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
7350359 eMolecules
221877 Brenda
5665-94-1 ACToR
PD143848 ProbesDrugs
5EL163606Q FDA SRS
248168 BindingDB
ZINC000000155367 ZINC
DB15886 DrugBank
DTXSID40205219 EPA CompTox Dashboard
J27.288D Nikkaji
MolPort-004-285-349 MolPort
21874 PubChem
MCULE-8944008049 Mcule
SCHEMBL1443139 SureChEMBL
The data in this table is sourced from UniChem at EBI.