Dataset
11B nuclear magnetic resonance spectroscopy (11B NMR)
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 |
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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 |
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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 |
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Measurement Technique | 11B nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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145754311 | PubChem |
SCHEMBL18719776 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |