Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H
SMILES	c1ccc2c(c1)Oc1c(N2c2ccc3c(c2)c2cccc4c2b(o3)oc2c4cccc2)cccc1
InChI Key	FDJLVIPJRAVJOM-UHFFFAOYSA-N
Molecular Formula	C30H18BNO3
Exact Mass	451.280 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FDJLVIPJRAVJOM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FDJLVIPJRAVJOM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:54:55.885596
MetadataModified	2024-09-07T18:57:36.232719
MetadataPublished	2020-10-26
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154723622	PubChem
UKUBOU	CCDC
The data in this table is sourced from UniChem at EBI.