| SpectraBase Compound ID | GX5BfVuheep |
|---|---|
| InChI | InChI=1S/C19H26FN3O3/c1-19(2,3)15(18(25)26)22-17(24)14-12-23(11-6-4-5-9-20)16-13(14)8-7-10-21-16/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,24)(H,25,26)/t15-/m1/s1 |
| InChIKey | IONFTZRRFFXYIH-OAHLLOKOSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C19H26FN3O3 |
| Exact Mass | 363.19582 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Za0HjmJuXK |
|---|---|
| Name | 5-fluoro MDMB-7-PAICA butanoic acid metabolite |
| Catalog Number | 28693 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26FN3O3 |
| InChI | InChI=1S/C19H26FN3O3/c1-19(2,3)15(18(25)26)22-17(24)14-12-23(11-6-4-5-9-20)16-13(14)8-7-10-21-16/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,24)(H,25,26)/t15-/m1/s1 |
| InChIKey | IONFTZRRFFXYIH-OAHLLOKOSA-N |
| Molecular Weight | 363.433 g/mol |
| SMILES | N(C(c1c2cccnc2[n](c1)CCCCCF)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-001s-4790000000-2062642a78934a70dadb |
| Source of Spectrum | CAY-2023-349-0 |
| Wiley ID | 1888315 |