Dataset
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
Chemical Info
InChI | InChI=1S/C11H9BrN2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h1-8,13H/b14-8+ |
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SMILES | Brc1ccc(cc1)/N=C/c1ccc[nH]1 |
InChI Key | XZDGUUWUWKTGNG-RIYZIHGNSA-N |
Molecular Formula | C11H9BrN2 |
Exact Mass | 249.107 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000763 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XZDGUUWUWKTGNG-RIYZIHGNSA-N/CHMO0000763 |
Version | |
Author | Valentina Ferraro |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:19:41.613185 |
MetadataModified | 2024-09-08T03:19:41.613190 |
MetadataPublished | 2024-04-17 |
Field | Value |
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Measurement Technique | attenuated total reflectance Fourier transform infrared spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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25844731 | eMolecules |
SCHEMBL2255726 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |