Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C31H31BF2N2O4S2/c1-21-18-25(12-6-23-8-14-27(39-3)15-9-23)35-30(21)29(20-41-42(5,37)38)31-22(2)19-26(36(31)32(35,33)34)13-7-24-10-16-28(40-4)17-11-24/h6-19H,20H2,1-5H3/b12-6+,13-7+
SMILES	COc1ccc(cc1)/C=C/c1cc(c2n1[B-](F)(F)[N+]1=C(/C=C/c3ccc(cc3)OC)C=C(C1=C2CSS(=O)(=O)C)C)C
InChI Key	XUOVAQVEBLTVLZ-PWHKKFIBSA-N
Exact Mass	608.527 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• chmo0000470

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XUOVAQVEBLTVLZ-PWHKKFIBSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XUOVAQVEBLTVLZ-PWHKKFIBSA-N/CHMO0000470
Version
Author	Lucie Wohlrábová
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-27
Related Molecule

Field	Value
Measurement Technique	CHMO:0000470
Measurement Variables

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