Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C17H15F6N5/c1-9(2)28-8-27-13-14(25-7-26-15(13)28)24-6-10-3-11(16(18,19)20)5-12(4-10)17(21,22)23/h3-5,7-9H,6H2,1-2H3,(H,24,25,26) |
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SMILES | CC(n1cnc2c1ncnc2NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C |
InChI Key | OTDDRQAYVRAWGQ-UHFFFAOYSA-N |
Molecular Formula | C17H15F6N5 |
Exact Mass | 403.325 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:41:26.243454 |
MetadataModified | 2024-09-07T12:04:28.597202 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427284 | PubChem |
The data in this table is sourced from UniChem at EBI. |