Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H47B2NO4/c1-27(2,3)19-15-21-22-16-20(28(4,5)6)18-24(34-38-31(11,12)32(13,14)39-34)26(22)35-25(21)23(17-19)33-36-29(7,8)30(9,10)37-33/h15-18,35H,1-14H3
SMILES	CC1(C)OB(OC1(C)C)c1cc(cc2c1[nH]c1c2cc(cc1B1OC(C(O1)(C)C)(C)C)C(C)(C)C)C(C)(C)C
InChI Key	DKVPTRYKXNOTBR-UHFFFAOYSA-N
Molecular Formula	C32H47B2NO4
Exact Mass	531.342 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/DKVPTRYKXNOTBR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DKVPTRYKXNOTBR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:17:22.119010
MetadataModified	2025-01-29T16:10:28.524904
MetadataPublished	2024-10-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
68342666	PubChem
SCHEMBL12657281	SureChEMBL
J3.429.830K	Nikkaji
The data in this table is sourced from UniChem at EBI.