| SpectraBase Compound ID | 22DkZj3MgfJ |
|---|---|
| InChI | InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H,21,24)(H,25,26)/t16-/m1/s1 |
| InChIKey | MVDXLPCBCLGFHC-MRXNPFEDSA-N |
| Mol Weight | 363.43 g/mol |
| Molecular Formula | C19H26FN3O3 |
| Exact Mass | 363.19582 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DgI7kMD0gVd |
|---|---|
| Name | 5-fluoro ADB metabolite 7 |
| Catalog Number | 20178 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26FN3O3 |
| InChI | InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H,21,24)(H,25,26)/t16-/m1/s1 |
| InChIKey | MVDXLPCBCLGFHC-MRXNPFEDSA-N |
| Molecular Weight | 363.433 g/mol |
| SMILES | N(C(c1n[n](c2c1cccc2)CCCCCF)=O)[C@](C(O)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-053i-5960000000-ff4c7c32c7861dc49016 |
| Source of Spectrum | CAY-2023-442-0 |
| Wiley ID | 1888407 |