Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
SMILES	c1cccnc1.Cl
InChI Key	AOJFQRQNPXYVLM-UHFFFAOYSA-N
Exact Mass	115.561 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000601
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:33:22.779508
MetadataModified	2024-09-23T09:26:40.755890
MetadataPublished	2024-08-26

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : FAS-Pyridin-UCl date : 20240815 starting time : 10.52 h instrument : spect label : CCP-3580 id : 321691 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
10176127	PubChem
12777679	PubChem
628-13-7	ACToR
22666620	PubChem
1U87419851	FDA SRS
69401	PubChem
15170555	PubChem: Thomson Pharma
15170554	PubChem: Thomson Pharma
SCHEMBL23609	SureChEMBL
491173	eMolecules
CB0725473	ChemicalBook
DTXSID6027262	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.