Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
SMILES CC(=O)CC(=O)OC(C)(C)C
InChI Key JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula C8H14O3
Exact Mass 158.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKUYRAMKJLMYLO-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/JKUYRAMKJLMYLO-UHFFFAOYSA-N/CHMO0000601
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:12:38.482542
MetadataModified 2024-09-08T04:12:38.482547
MetadataPublished 2024-07-10
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
474200 eMolecules
1D3DOS61GX FDA SRS
14916185 PubChem: Thomson Pharma
15538 PubChem
1694-31-1 ACToR
J100.916H Nikkaji
133812 Brenda
ZINC000001675679 ZINC
DTXSID4044402 EPA CompTox Dashboard
MCULE-8461817401 Mcule
133811 Brenda
194812 Brenda
CB0441030 ChemicalBook
CHEMBL3187029 ChEMBL
MolPort-001-789-983 MolPort
SCHEMBL82881 SureChEMBL
10016868 NMRShiftDB
The data in this table is sourced from UniChem at EBI.