Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C15H14F3N3/c1-2-3-6-10-9-19-14-13(15(16,17)18)20-11-7-4-5-8-12(11)21(10)14/h4-5,7-9H,2-3,6H2,1H3 |
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SMILES | CCCCc1cnc2n1c1ccccc1nc2C(F)(F)F |
InChI Key | YXIJMMYJFBYEEB-UHFFFAOYSA-N |
Molecular Formula | C15H14F3N3 |
Exact Mass | 293.287 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YXIJMMYJFBYEEB-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YXIJMMYJFBYEEB-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Chloé Liagre |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:03:06.373169 |
MetadataModified | 2024-09-07T21:42:49.170821 |
MetadataPublished | 2022-02-11 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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162623402 | PubChem |
The data in this table is sourced from UniChem at EBI. |