Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22) |
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SMILES | CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C |
InChI Key | ZMCDNTWMTVMOAV-UHFFFAOYSA-N |
Molecular Formula | C16H16F3N5 |
Exact Mass | 335.327 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:39:42.856920 |
MetadataModified | 2024-09-07T12:01:51.377103 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |