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/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES	CCCCCC=C
InChI Key	ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Exact Mass	98.186 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.14272/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/ZGEGCLOFRBLKSE-UHFFFAOYSA-N/CHMO0001148
Version
Author	Jana Barylko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:23:19.108940
MetadataModified	2024-09-23T09:25:58.379345
MetadataPublished	2024-08-07
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-1-Hepten date : 20240719 starting time : 1.46 h instrument : spect label : CCP-3577 id : 317558 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
MCULE-5868303078	Mcule
11610	PubChem
SCHEMBL22178	SureChEMBL
O748KJ11V7	FDA SRS
164404	Brenda
175074	Brenda
CB7378609	ChemicalBook
492952	eMolecules
15170442	PubChem: Thomson Pharma
68526-53-4	ACToR
60019438	NMRShiftDB
186747	ChEBI
592-76-7	ACToR
ZINC000001699515	ZINC
DTXSID2060466	EPA CompTox Dashboard
J6.763F	Nikkaji
LMFA11000319	LipidMaps
The data in this table is sourced from UniChem at EBI.