Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C15H9BrINO/c16-14-11-5-2-1-4-10(11)7-8-13(14)19-15-12(17)6-3-9-18-15/h1-9H
SMILES	Ic1cccnc1Oc1ccc2c(c1Br)cccc2
InChI Key	HEJRWAHGCHPOOZ-UHFFFAOYSA-N
Molecular Formula	C15H9BrINO
Exact Mass	426.047 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/HEJRWAHGCHPOOZ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:15:37.916053
MetadataModified	2025-01-29T16:08:44.995256
MetadataPublished	2024-10-16
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : SG-V4304 Waschen date : 20240828 starting time : 16.00 h instrument : spect label : SG-3812 id : 321910 Solvent : DMSO

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.