Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H
SMILES	c1ccc2c(c1)N(c1ccc3c(c1)c1cccc4c1b(o3)oc1c4cc(cc1)N1c3ccccc3Oc3c1cccc3)c1c(O2)cccc1
InChI Key	SWTOBWMVFQISBW-UHFFFAOYSA-N
Molecular Formula	C42H25BN2O4
Exact Mass	632.470 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SWTOBWMVFQISBW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/SWTOBWMVFQISBW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:55:08.655138
MetadataModified	2024-09-07T18:57:57.213778
MetadataPublished	2020-10-26
Related Molecule

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

Data-Source Molecule ID	Data-Source
154723623	PubChem
The data in this table is sourced from UniChem at EBI.