Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

dataset for 11B nuclear magnetic resonance spectroscopy (11B NMR)\n\n

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.14272/WDHGHMKHZZHMSP-UHFFFAOYSA-N/CHMO0000594
License URL
Source https://www.chemotion-repository.net/inchikey/WDHGHMKHZZHMSP-UHFFFAOYSA-N/CHMO0000594
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:41:32.594024
MetadataModified 2024-09-08T01:41:32.594030
MetadataPublished 2023-10-02
Field Value
Measurement Technique 11B nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145754311 PubChem
SCHEMBL18719776 SureChEMBL
The data in this table is sourced from UniChem at EBI.