Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C20H19BO4/c1-19(2)20(3,4)25-21(24-19)12-9-10-15-16(11-12)18(23)14-8-6-5-7-13(14)17(15)22/h5-11H,1-4H3
SMILES	O=C1c2cc(ccc2C(=O)c2c1cccc2)B1OC(C(O1)(C)C)(C)C
InChI Key	WDHGHMKHZZHMSP-UHFFFAOYSA-N
Molecular Formula	C20H19BO4
Exact Mass	334.173 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WDHGHMKHZZHMSP-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/WDHGHMKHZZHMSP-UHFFFAOYSA-N/CHMO0001146
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:41:25.564138
MetadataModified	2024-09-08T01:41:25.564144
MetadataPublished	2023-10-02

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
145754311	PubChem
SCHEMBL18719776	SureChEMBL
The data in this table is sourced from UniChem at EBI.