Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C16H14BBrF3.K/c18-16-10-12-2-6-13-5-1-11(3-7-14(16)8-4-12)9-15(13)17(19,20)21;/h1,4-5,8-10H,2-3,6-7H2;/q-1;+1
SMILES	Brc1cc2CCc3ccc(CCc1cc2)cc3[B-](F)(F)F.[K+]
InChI Key	MXMAXVNQPZJOHU-UHFFFAOYSA-N
Molecular Formula	C16H14BBrF3K
Exact Mass	393.091 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/MXMAXVNQPZJOHU-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/MXMAXVNQPZJOHU-UHFFFAOYSA-N/CHMO0000597
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:24:35.043815
MetadataModified	2024-09-07T18:17:50.960019
MetadataPublished	2020-07-18

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453689	PubChem
The data in this table is sourced from UniChem at EBI.