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

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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

InChI	InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
SMILES	COC(=O)C#C
InChI Key	IMAKHNTVDGLIRY-UHFFFAOYSA-N
Exact Mass	84.073 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.14272/IMAKHNTVDGLIRY-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/IMAKHNTVDGLIRY-UHFFFAOYSA-N/CHMO0001148
Version
Author	Jana Barylko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:15:09.073446
MetadataModified	2024-09-23T09:25:35.673034
MetadataPublished	2024-07-17
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : JBA-CCP-1023 date : 20240208 starting time : 4.17 h instrument : spect label : JBA-2 id : 118706 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
10015903	NMRShiftDB
13536	PubChem
SCHEMBL534	SureChEMBL
14769234	PubChem: Thomson Pharma
922-67-8	ACToR
484374	eMolecules
T88NXO102K	FDA SRS
CHEMBL4086262	ChEMBL
CB3155439	ChemicalBook
J87.385C	Nikkaji
DTXSID60238923	EPA CompTox Dashboard
MCULE-5108326717	Mcule
ZINC000001564788	ZINC
The data in this table is sourced from UniChem at EBI.