Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C16H22F3N3O2/c1-6-24-15(23)12-7-8-14(13(9-12)16(17,18)19)20-21-22(10(2)3)11(4)5/h7-11H,6H2,1-5H3/b21-20+ |
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SMILES | CCOC(=O)c1ccc(c(c1)C(F)(F)F)/N=N/N(C(C)C)C(C)C |
InChI Key | GUVBZGBNNQJRGH-QZQOTICOSA-N |
Molecular Formula | C16H22F3N3O2 |
Exact Mass | 345.360 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GUVBZGBNNQJRGH-QZQOTICOSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GUVBZGBNNQJRGH-QZQOTICOSA-N/Mass/EI |
Version | |
Author | Andreas Hafner |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:34:03.717047 |
MetadataModified | 2024-09-07T12:47:27.296970 |
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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J3.081.928D | Nikkaji |
The data in this table is sourced from UniChem at EBI. |