| SpectraBase Compound ID | ELYAgO6RQVl |
|---|---|
| InChI | InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26-4)22-18(24)15-13-23(12-8-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3,(H,22,24)/t17-/m1/s1 |
| InChIKey | QIKHYQCWGUGFBB-QGZVFWFLSA-N |
| Mol Weight | 362.45 g/mol |
| Molecular Formula | C20H27FN2O3 |
| Exact Mass | 362.200571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H0mnTZzBJEW |
|---|---|
| Name | 4-fluoro MDMB-BUTICA |
| Catalog Number | 31075 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H27FN2O3 |
| InChI | InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26-4)22-18(24)15-13-23(12-8-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,7-8,11-12H2,1-4H3,(H,22,24)/t17-/m1/s1 |
| InChIKey | QIKHYQCWGUGFBB-QGZVFWFLSA-N |
| Molecular Weight | 362.445 g/mol |
| SMILES | N(C(=O)c1c[n](CCCCF)c2c1cccc2)[C@](C(OC)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-014i-0391000000-0505ec046070036c5a1e |
| Source of Spectrum | CAY-2023-250-0 |
| Wiley ID | 1888216 |