Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C14H20BFO2/c1-4-5-11-6-7-12(13(16)8-11)15-17-9-14(2,3)10-18-15/h6-8H,4-5,9-10H2,1-3H3
SMILES	CCCc1ccc(c(c1)F)B1OCC(CO1)(C)C
InChI Key	WEAAZHZJJSQDNF-UHFFFAOYSA-N
Molecular Formula	C14H20BFO2
Exact Mass	250.117 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WEAAZHZJJSQDNF-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/WEAAZHZJJSQDNF-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Baeuerle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:52:33.572720
MetadataModified	2025-01-29T16:44:34.946011
MetadataPublished	2024-12-03
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
15925384	PubChem: Thomson Pharma
10879511	PubChem
J1.908.699B	Nikkaji
The data in this table is sourced from UniChem at EBI.