Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C15H11F6N5/c16-14(17,18)6-26-8-25-11-12(23-7-24-13(11)26)22-5-9-2-1-3-10(4-9)15(19,20)21/h1-4,7-8H,5-6H2,(H,22,23,24) |
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SMILES | FC(Cn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F)(F)F |
InChI Key | DBALJAXTFXCNRG-UHFFFAOYSA-N |
Molecular Formula | C15H11F6N5 |
Exact Mass | 375.272 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/DBALJAXTFXCNRG-UHFFFAOYSA-N/NMR/13C/CDCl3/100 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DBALJAXTFXCNRG-UHFFFAOYSA-N/NMR/13C/CDCl3/100 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:41:01.330334 |
MetadataModified | 2024-09-07T12:03:57.420912 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |