Dataset
11B nuclear magnetic resonance spectroscopy (11B NMR)
Chemical Info
InChI | InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H |
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SMILES | c1ccc2c(c1)Oc1c(N2c2cc3c4ccccc4ob4c3c(c2)c2ccccc2o4)cccc1 |
InChI Key | FACYDDWLSGTKQN-UHFFFAOYSA-N |
Molecular Formula | C30H18BNO3 |
Exact Mass | 451.280 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FACYDDWLSGTKQN-UHFFFAOYSA-N/CHMO0000594 |
Version | |
Author | Zhen Zhang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:57:18.830443 |
MetadataModified | 2024-09-07T19:00:33.224851 |
MetadataPublished | 2020-10-26 |
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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138453734 | PubChem |
UKUBIO | CCDC |
The data in this table is sourced from UniChem at EBI. |