Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C15H22BNO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6,17H2,1-5H3
SMILES	CCOC(=O)c1ccc(c(c1)N)B1OC(C(O1)(C)C)(C)C
InChI Key	FVDWZYDAKIIASA-UHFFFAOYSA-N
Molecular Formula	C15H22BNO4
Exact Mass	291.150 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FVDWZYDAKIIASA-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/FVDWZYDAKIIASA-UHFFFAOYSA-N/CHMO0000599
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:04:39.909722
MetadataModified	2025-01-29T15:58:29.776681
MetadataPublished	2024-10-09
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
75537248	PubChem
ZINC000169978501	ZINC
The data in this table is sourced from UniChem at EBI.