| SpectraBase Compound ID | Feb8tXWMsJy |
|---|---|
| InChI | InChI=1S/C20H20FN3O3/c1-12(2)17(20(26)27)22-19(25)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,26,27)/t17-/m0/s1 |
| InChIKey | XWTKFXNTAUXIRK-KRWDZBQOSA-N |
| Mol Weight | 369.4 g/mol |
| Molecular Formula | C20H20FN3O3 |
| Exact Mass | 369.14887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ytBb1tIsZc |
|---|---|
| Name | AB-FUBINACA metabolite 3 |
| Catalog Number | 17761 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20FN3O3 |
| InChI | InChI=1S/C20H20FN3O3/c1-12(2)17(20(26)27)22-19(25)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,26,27)/t17-/m0/s1 |
| InChIKey | XWTKFXNTAUXIRK-KRWDZBQOSA-N |
| Molecular Weight | 369.396 g/mol |
| SMILES | N(C(c1n[n](c2c1cccc2)Cc1ccc(cc1)F)=O)[C@](C(O)=O)(C(C)C)[H] |
| SPLASH | splash10-0a4i-4942000000-7450e803fdfbef38b37e |
| Source of Spectrum | CAY-2023-1231-0 |
| Wiley ID | 1889173 |