Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

Chemical Info

InChI	InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3
SMILES	CC1(C)c2ccccc2N(c2c1cccc2)c1cc2c3ccccc3ob3c2c(c1)c1ccccc1o3
InChI Key	RWAFQRMJZLVGOI-UHFFFAOYSA-N
Molecular Formula	C33H24BNO2
Exact Mass	477.360 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000594
License URL
Source	https://www.chemotion-repository.net/inchikey/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000594
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:55:52.050429
MetadataModified	2024-09-07T18:58:49.257557
MetadataPublished	2020-10-26

Field	Value
Measurement Technique	11B nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453736	PubChem
SCHEMBL22147681	SureChEMBL
The data in this table is sourced from UniChem at EBI.