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/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
SMILES	ClCC(=O)CCl
InChI Key	SUNMBRGCANLOEG-UHFFFAOYSA-N
Exact Mass	126.969 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.14272/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/SUNMBRGCANLOEG-UHFFFAOYSA-N/CHMO0001148
Version
Author	Jana Alpin
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:13:09.242205
MetadataModified	2024-09-23T09:22:37.862148
MetadataPublished	2024-04-09
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 : CCP-3705 date : 20240219 starting time : 16.00 h instrument : spect label : CCP-3535 id : 293506 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
CHEMBL1231783	ChEMBL
CHM	PDBe
DTXSID2021577	EPA CompTox Dashboard
156485	ChEBI
ZINC000001648213	ZINC
J1.590C	Nikkaji
HMDB0244164	Human Metabolome Database
DCACON	CCDC
15146581	PubChem: Thomson Pharma
534-07-6	ACToR
10793	PubChem
478315	eMolecules
CB3853746	ChemicalBook
47695	Brenda
UFH8559WS5	FDA SRS
10020692	NMRShiftDB
SCHEMBL30570	SureChEMBL
MCULE-2048636813	Mcule
The data in this table is sourced from UniChem at EBI.