| SpectraBase Compound ID | 1MU1AfQccZ6 |
|---|---|
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t19-/m1/s1 |
| InChIKey | RNWBJOCYFGGMRJ-LJQANCHMSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C22H31FN2O3 |
| Exact Mass | 390.231871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Z1MJuBF32P |
|---|---|
| Name | 5-fluoro EDMB-PICA |
| Catalog Number | 30725 |
| Alternate Name(s) | 5-fluoro EDMB-2201 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31FN2O3 |
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26)/t19-/m1/s1 |
| InChIKey | RNWBJOCYFGGMRJ-LJQANCHMSA-N |
| Molecular Weight | 390.499 g/mol |
| SMILES | N(C(=O)c1c[n](CCCCCF)c2c1cccc2)[C@](C(OCC)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-001i-0291000000-dd5a6b01976e59a0ad3a |
| Source of Spectrum | CAY-2023-229-0 |
| Wiley ID | 1888195 |