| SpectraBase Compound ID | 6Z2b4bloYw3 |
|---|---|
| InChI | InChI=1S/C20H28FN3O2/c1-20(2,3)17(18(22)25)23-19(26)15-13-24(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H2,22,25)(H,23,26) |
| InChIKey | ITZSOCZDFSHNCL-UHFFFAOYSA-N |
| Mol Weight | 361.46 g/mol |
| Molecular Formula | C20H28FN3O2 |
| Exact Mass | 361.216555 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DN9ywOSs49m |
|---|---|
| Name | 5-fluoro ADBICA |
| Catalog Number | 14766 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28FN3O2 |
| InChI | InChI=1S/C20H28FN3O2/c1-20(2,3)17(18(22)25)23-19(26)15-13-24(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H2,22,25)(H,23,26) |
| InChIKey | ITZSOCZDFSHNCL-UHFFFAOYSA-N |
| Molecular Weight | 361.461 g/mol |
| SMILES | N(C(c1c[n](c2c1cccc2)CCCCCF)=O)C(C(N)=O)C(C)(C)C |
| SPLASH | splash10-001i-2490000000-71f95c94d0156b823df8 |
| Source of Spectrum | CAY-2023-1591-0 |
| Wiley ID | 1889528 |