Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H |
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SMILES | Brc1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)Br |
InChI Key | YBGIIZGNEOJSRF-UHFFFAOYSA-N |
Molecular Formula | C25H16Br4 |
Exact Mass | 636.011 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000595.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000595.1 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:27:58.317819 |
MetadataModified | 2024-09-08T01:27:58.317824 |
MetadataPublished | 2023-08-02 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16335345 | PubChem: Thomson Pharma |
CB72559002 | ChemicalBook |
SCHEMBL440244 | SureChEMBL |
J951.410D | Nikkaji |
TAHGAK | CCDC |
DTXSID00460044 | EPA CompTox Dashboard |
ZINC000150363016 | ZINC |
11250692 | PubChem |
The data in this table is sourced from UniChem at EBI. |