![(2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(hydroxy)phenyl]-N-[4-(trifluoromethyl)benzyl]propanamide](/api/spectrum/AB5fvdf7AO5/structure.png?h=300&w=458 "(2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(hydroxy)phenyl]-N-[4-(trifluoromethyl)benzyl]propanamide")
| SpectraBase Compound ID | 4dsDhNRvCLi |
|---|---|
| InChI | InChI=1S/C22H25F3N2O4/c1-21(2,3)31-20(30)27-18(12-14-6-10-17(28)11-7-14)19(29)26-13-15-4-8-16(9-5-15)22(23,24)25/h4-11,18,28H,12-13H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1 |
| InChIKey | KRNMPYNMYGXJBE-SFHVURJKSA-N |
| Mol Weight | 438.45 g/mol |
| Molecular Formula | C22H25F3N2O4 |
| Exact Mass | 438.176642 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AB5fvdf7AO5 |
|---|---|
| Name | (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(hydroxy)phenyl]-N-[4-(trifluoromethyl)benzyl]propanamide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25F3N2O4 |
| InChI | InChI=1S/C22H25F3N2O4/c1-21(2,3)31-20(30)27-18(12-14-6-10-17(28)11-7-14)19(29)26-13-15-4-8-16(9-5-15)22(23,24)25/h4-11,18,28H,12-13H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1 |
| InChIKey | KRNMPYNMYGXJBE-SFHVURJKSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 438.447 g/mol |
| SMILES | N(Cc1ccc(cc1)C(F)(F)F)C([C@](Cc1ccc(cc1)O)(NC(OC(C)(C)C)=O)[H])=O |
| SPLASH | splash10-00di-0409000000-720c6652e57b4fe1d93b |
| Source of Spectrum | EP4015501A1 |
| Wiley ID | 1884644 |