Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C28H28B.Na/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;/h5-20H,1-4H3;/q-1;+1
SMILES	Cc1ccc(cc1)[B-](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[Na+]
InChI Key	VVPGHQQFKGSIPJ-UHFFFAOYSA-N
Exact Mass	398.323 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VVPGHQQFKGSIPJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/VVPGHQQFKGSIPJ-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
532073	eMolecules
15966198	PubChem: Thomson Pharma
CB4502890	ChemicalBook
SCHEMBL135348	SureChEMBL
23663348	PubChem
DTXSID00635391	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.