Dataset
Fourier transform infrared spectroscopy (FTIR)
Chemical Info
InChI | InChI=1S/C12H9F3N2/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11/h1-8,16H/b17-8+ |
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SMILES | FC(c1ccc(cc1)/N=C/c1ccc[nH]1)(F)F |
InChI Key | DCMIXAPLCVYQTQ-CAOOACKPSA-N |
Molecular Formula | C12H9F3N2 |
Exact Mass | 238.208 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/DCMIXAPLCVYQTQ-CAOOACKPSA-N/CHMO0000636 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DCMIXAPLCVYQTQ-CAOOACKPSA-N/CHMO0000636 |
Version | |
Author | Valentina Ferraro |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:18:51.623550 |
MetadataModified | 2024-09-08T03:18:51.623555 |
MetadataPublished | 2024-04-17 |
Field | Value |
---|---|
Measurement Technique | Fourier transform infrared spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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SCHEMBL14081314 | SureChEMBL |
J1.963.015C | Nikkaji |
The data in this table is sourced from UniChem at EBI. |