| SpectraBase Compound ID | 8fz4WZkc2eN |
|---|---|
| InChI | InChI=1S/C22H28FN3O/c23-7-3-4-8-26-19-6-2-1-5-18(19)20(25-26)21(27)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,27)/t15-,16+,17-,22- |
| InChIKey | CBDPDVXPZYOIRM-OMOYSXNNSA-N |
| Mol Weight | 369.48 g/mol |
| Molecular Formula | C22H28FN3O |
| Exact Mass | 369.221641 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FPQeEhGa1o6 |
|---|---|
| Name | 4-fluoro ABUTINACA |
| Catalog Number | 30724 |
| CAS Registry Number | 1445580-39-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28FN3O |
| InChI | InChI=1S/C22H28FN3O/c23-7-3-4-8-26-19-6-2-1-5-18(19)20(25-26)21(27)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,27)/t15-,16+,17-,22- |
| InChIKey | CBDPDVXPZYOIRM-OMOYSXNNSA-N |
| Molecular Weight | 369.484 g/mol |
| SMILES | N(C(=O)c1n[n](CCCCF)c2c1cccc2)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| SPLASH | splash10-014i-1494000000-34e8759e1161672d570f |
| Source of Spectrum | CAY-2023-253-0 |
| Wiley ID | 1888219 |