Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

Chemical Info

InChI	InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H
SMILES	c1ccc2c(c1)Oc1c(N2c2cc3c4ccccc4ob4c3c(c2)c2ccccc2o4)cccc1
InChI Key	FACYDDWLSGTKQN-UHFFFAOYSA-N
Molecular Formula	C30H18BNO3
Exact Mass	451.280 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594
License URL
Source	https://www.chemotion-repository.net/inchikey/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:57:18.830443
MetadataModified	2024-09-07T19:00:33.224851
MetadataPublished	2020-10-26

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

Data-Source Molecule ID	Data-Source
138453734	PubChem
UKUBIO	CCDC
The data in this table is sourced from UniChem at EBI.