| SpectraBase Compound ID | 9EB0YYpcwQZ |
|---|---|
| InChI | InChI=1S/C26H36N2O6/c1-15(11-22-27-13-23(34-22)28(4)19-8-6-5-7-9-19)10-20-25(31)24(30)18(14-32-20)12-21-26(33-21)16(2)17(3)29/h5-9,11,13,16-18,20-21,24-26,29-31H,10,12,14H2,1-4H3/b15-11+/t16-,17-,18-,20?,21-,24+,25-,26-/m0/s1 |
| InChIKey | ZSUFXRVSTOSCQZ-LYLXGSSMSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C26H36N2O6 |
| Exact Mass | 472.257337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RTdQ2xYIkG |
|---|---|
| Name | 5-(N-Methyl-N-phenylamino)-2-(1-normon-2-yl)oxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.257336881 u |
| Formula | C26H36N2O6 |
| InChI | InChI=1S/C26H36N2O6/c1-15(11-22-27-13-23(34-22)28(4)19-8-6-5-7-9-19)10-20-25(31)24(30)18(14-32-20)12-21-26(33-21)16(2)17(3)29/h5-9,11,13,16-18,20-21,24-26,29-31H,10,12,14H2,1-4H3/b15-11+/t16-,17-,18-,20?,21-,24+,25-,26-/m0/s1 |
| InChIKey | ZSUFXRVSTOSCQZ-LYLXGSSMSA-N |
| Molecular Weight | 472.582 g/mol |
| SMILES | [C@@]1(O[C@]1(C[C@@]1([C@]([C@@](O)(C(OC1)C\C(=C\C=1OC(N(C2=CC=CC=C2)C)=CN1)C)[H])(O)[H])[H])[H])([C@]([C@@](O)(C)[H])(C)[H])[H] |