Dataset
11B nuclear magnetic resonance spectroscopy (11B NMR)
Chemical Info
InChI | InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3 |
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SMILES | CC1(C)c2ccccc2N(c2c1cccc2)c1cc2c3ccccc3ob3c2c(c1)c1ccccc1o3 |
InChI Key | RWAFQRMJZLVGOI-UHFFFAOYSA-N |
Molecular Formula | C33H24BNO2 |
Exact Mass | 477.360 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000594 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RWAFQRMJZLVGOI-UHFFFAOYSA-N/CHMO0000594 |
Version | |
Author | Zhen Zhang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:55:52.050429 |
MetadataModified | 2024-09-07T18:58:49.257557 |
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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138453736 | PubChem |
SCHEMBL22147681 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |