Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C20H23F3N6O2/c1-19(2,3)31-18(30)24-7-8-29-12-28-15-16(26-11-27-17(15)29)25-10-13-5-4-6-14(9-13)20(21,22)23/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,24,30)(H,25,26,27) |
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SMILES | O=C(OC(C)(C)C)NCCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F |
InChI Key | LZLOWOKZZGJPIW-UHFFFAOYSA-N |
Molecular Formula | C20H23F3N6O2 |
Exact Mass | 436.431 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LZLOWOKZZGJPIW-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Nicole Jung |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:34:03.991579 |
MetadataModified | 2024-09-07T11:53:24.026926 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |