Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C32H31BO2/c1-31(2)32(3,4)35-33(34-31)28-22-20-27(21-23-28)30(26-18-12-7-13-19-26)29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h5-23H,1-4H3
SMILES	CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key	XIPGCKFASRXQSN-UHFFFAOYSA-N
Exact Mass	458.398 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XIPGCKFASRXQSN-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XIPGCKFASRXQSN-UHFFFAOYSA-N/CHMO0000593
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-13
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	date : 2026-04-08 starting time : 14:31:26 UTC creator : Sylvia Vanderheiden-Schroen Solvent : DMSO temperature : 298.002192932363 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin date : 2026-04-08 starting time : 13:19:07 UTC creator : Sylvia Vanderheiden-Schroen Solvent : CDCl3 temperature : 297.998510019019 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
13581748	surechembl
70944631	pubchem
Molport-047-409-303	molport
The data in this table is sourced from UniChem at EBI.