![Piperidin-4-ylmethyl(5-fluoro-4'-methoxy-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate](/api/spectrum/4mQ9H4CMPA9/structure.png?h=300&w=458 "Piperidin-4-ylmethyl(5-fluoro-4'-methoxy-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate")
| SpectraBase Compound ID | E3cmbIFjTWs |
|---|---|
| InChI | InChI=1S/C20H23FN2O3.C2HF3O2/c1-25-17-5-2-15(3-6-17)18-12-16(21)4-7-19(18)23-20(24)26-13-14-8-10-22-11-9-14;3-2(4,5)1(6)7/h2-7,12,14,22H,8-11,13H2,1H3,(H,23,24);(H,6,7) |
| InChIKey | BTNUQMBLNOCEID-UHFFFAOYSA-N |
| Mol Weight | 472.437 g/mol |
| Molecular Formula | C22H24F4N2O5 |
| Exact Mass | 472.162135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4mQ9H4CMPA9 |
|---|---|
| Name | Piperidin-4-ylmethyl(5-fluoro-4'-methoxy-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate |
| Appearance | Brown oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24F4N2O5 |
| InChI | InChI=1S/C20H23FN2O3.C2HF3O2/c1-25-17-5-2-15(3-6-17)18-12-16(21)4-7-19(18)23-20(24)26-13-14-8-10-22-11-9-14;3-2(4,5)1(6)7/h2-7,12,14,22H,8-11,13H2,1H3,(H,23,24);(H,6,7) |
| InChIKey | BTNUQMBLNOCEID-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 472.437 g/mol |
| SMILES | N(c1c(-c2ccc(cc2)OC)cc(cc1)F)C(OCC1CCNCC1)=O.OC(C(F)(F)F)=O |
| SPLASH | splash10-00ke-9350000000-3ea6186e20b25cd48f7b |
| Source of Spectrum | EP3720852A1 |
| Wiley ID | 1877239 |