Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C9H6F3N3/c10-9(11,12)7-8(13)15-6-4-2-1-3-5(6)14-7/h1-4H,(H2,13,15) |
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SMILES | Nc1nc2ccccc2nc1C(F)(F)F |
InChI Key | STMGCUUVVSSYBM-UHFFFAOYSA-N |
Molecular Formula | C9H6F3N3 |
Exact Mass | 213.159 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/STMGCUUVVSSYBM-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/STMGCUUVVSSYBM-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Chloé Liagre |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:02:49.986422 |
MetadataModified | 2024-09-07T21:42:27.044582 |
MetadataPublished | 2022-02-11 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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1051523 | PubChem |
The data in this table is sourced from UniChem at EBI. |