Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C17H22BF2N3O2S/c1-9-5-11(3)22-15(9)13(7-26-8-14(21)17(24)25)16-10(2)6-12(4)23(16)18(22,19)20/h5-6,14H,7-8,21H2,1-4H3,(H,24,25)/t14-/m0/s1
SMILES	OC(=O)[C@H](CSCC1=C2C(=CC(=[N+]2[B-](n2c1c(C)cc2C)(F)F)C)C)N
InChI Key	ROGFJVKWGGFMNA-AWEZNQCLSA-N
Exact Mass	381.248 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/ROGFJVKWGGFMNA-AWEZNQCLSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ROGFJVKWGGFMNA-AWEZNQCLSA-N/CHMO0000593
Version
Author	Lucie Wohlrábová
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-03
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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