Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C26H32B2O6/c1-23(2)24(3,4)32-27(31-23)19-13-9-17(10-14-19)21(29)22(30)18-11-15-20(16-12-18)28-33-25(5,6)26(7,8)34-28/h9-16H,1-8H3
SMILES	O=C(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key	BDTMRQVYWGTPFO-UHFFFAOYSA-N
Molecular Formula	C26H32B2O6
Exact Mass	462.151 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BDTMRQVYWGTPFO-UHFFFAOYSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/BDTMRQVYWGTPFO-UHFFFAOYSA-N/CHMO0000630
Version
Author	Michael Rotter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-04T13:29:07.269533
MetadataModified	2025-02-04T13:29:07.269540
MetadataPublished	2025-01-21
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
68776148	PubChem
SCHEMBL3760918	SureChEMBL
The data in this table is sourced from UniChem at EBI.