Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C30H28BF2IN2O2/c1-20-17-24(11-5-22-7-13-26(37-3)14-8-22)35-29(20)28(19-34)30-21(2)18-25(36(30)31(35,32)33)12-6-23-9-15-27(38-4)16-10-23/h5-18H,19H2,1-4H3/b11-5+,12-6+
SMILES	COc1ccc(cc1)/C=C/c1cc(c2n1[B-](F)(F)[N+]1=C(/C=C/c3ccc(cc3)OC)C=C(C1=C2CI)C)C
InChI Key	UMXQRYPDGVGNEW-YDWXAUTNSA-N
Exact Mass	624.268 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• chmo0000595

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UMXQRYPDGVGNEW-YDWXAUTNSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/UMXQRYPDGVGNEW-YDWXAUTNSA-N/CHMO0000595
Version
Author	Lucie Wohlrábová
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-27
Related Molecule

Field	Value
Measurement Technique	CHMO:0000595
Measurement Variables

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