| SpectraBase Compound ID | CqDo8qRl40C |
|---|---|
| InChI | InChI=1S/C21H22FN3O3/c1-3-6-17(21(27)28-2)23-20(26)19-16-7-4-5-8-18(16)25(24-19)13-14-9-11-15(22)12-10-14/h4-5,7-12,17H,3,6,13H2,1-2H3,(H,23,26)/t17-/m0/s1 |
| InChIKey | MFRTXWHFMBIWRY-KRWDZBQOSA-N |
| Mol Weight | 383.42 g/mol |
| Molecular Formula | C21H22FN3O3 |
| Exact Mass | 383.16452 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2zgMdgB3diC |
|---|---|
| Name | MEP-FUBINACA |
| Catalog Number | 21654 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22FN3O3 |
| InChI | InChI=1S/C21H22FN3O3/c1-3-6-17(21(27)28-2)23-20(26)19-16-7-4-5-8-18(16)25(24-19)13-14-9-11-15(22)12-10-14/h4-5,7-12,17H,3,6,13H2,1-2H3,(H,23,26)/t17-/m0/s1 |
| InChIKey | MFRTXWHFMBIWRY-KRWDZBQOSA-N |
| Molecular Weight | 383.423 g/mol |
| SMILES | N(C(c1c2ccccc2[n](n1)Cc1ccc(cc1)F)=O)[C@@](CCC)(C(OC)=O)[H] |
| SPLASH | splash10-0pb9-2973000000-604c87e0f1c391437872 |
| Source of Spectrum | CAY-2023-708-0 |
| Wiley ID | 1888667 |