Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C10H9BrO4/c1-6(12)15-9-4-2-3-7(13)10(9)8(14)5-11/h2-4,13H,5H2,1H3
SMILES	BrCC(=O)c1c(cccc1O)OC(=O)C
InChI Key	GHBMCQRVMQONSY-UHFFFAOYSA-N
Exact Mass	273.080 g/mol

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/GHBMCQRVMQONSY-UHFFFAOYSA-N/CHMO0000601
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:37:50.758624
MetadataModified	2024-09-23T09:27:05.900708
MetadataPublished	2024-08-30

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	temperature : 300.0 K PULPROG : hmbcgpndqf number of scans : 8 scans title : SG-V4133 (8-13) date : 20240228 starting time : 6.46 h instrument : spect label : SG-3570 id : 297713 Solvent : chloroform-D1 (CDCl3)

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