Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3
SMILES	CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cccc3c1b(o2)oc1c3cccc1
InChI Key	YMNLSOVGPZNUAI-UHFFFAOYSA-N
Molecular Formula	C33H24BNO2
Exact Mass	477.360 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YMNLSOVGPZNUAI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YMNLSOVGPZNUAI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:54:46.120358
MetadataModified	2024-09-07T18:57:27.510999
MetadataPublished	2020-10-26
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453757	PubChem
UKUBUA	CCDC
The data in this table is sourced from UniChem at EBI.