Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C22H36B2O4/c1-13-14(2)18(24-27-21(9,10)22(11,12)28-24)16(4)15(3)17(13)23-25-19(5,6)20(7,8)26-23/h1-12H3
SMILES	CC1(C)OB(OC1(C)C)c1c(C)c(C)c(c(c1C)C)B1OC(C(O1)(C)C)(C)C
InChI Key	UDXKUBQYIVJUSK-UHFFFAOYSA-N
Molecular Formula	C22H36B2O4
Exact Mass	386.141 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/UDXKUBQYIVJUSK-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/UDXKUBQYIVJUSK-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:45:24.484318
MetadataModified	2025-01-29T16:37:53.384500
MetadataPublished	2024-11-25
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Sep09-2024 date : 20240909 starting time : 11.58 h instrument : Avance NEO label : JSH-206 id : 319683 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
155897220	PubChem
The data in this table is sourced from UniChem at EBI.