| SpectraBase Compound ID | 8OikH1t61j8 |
|---|---|
| InChI | InChI=1S/C23H26N2O5/c1-4-14-11-25-19-9-16(14)21(20(27)28-3,12-29-13(2)26)22(25)10-17-15-7-5-6-8-18(15)24-23(17,19)30-22/h4-8,16-17,19,24H,9-12H2,1-3H3/b14-4-/t16-,17?,19?,21?,22-,23?/m1/s1 |
| InChIKey | QJEYLIXKAMQUPF-KENYMQKVSA-N |
| Mol Weight | 410.47 g/mol |
| Molecular Formula | C23H26N2O5 |
| Exact Mass | 410.184172 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2n4vv61drM |
|---|---|
| Name | Picraline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H26N2O5 |
| InChI | InChI=1S/C23H26N2O5/c1-4-14-11-25-19-9-16(14)21(20(27)28-3,12-29-13(2)26)22(25)10-17-15-7-5-6-8-18(15)24-23(17,19)30-22/h4-8,16-17,19,24H,9-12H2,1-3H3/b14-4-/t16-,17?,19?,21?,22-,23?/m1/s1 |
| InChIKey | QJEYLIXKAMQUPF-KENYMQKVSA-N |
| Molecular Weight | 410.470 g/mol |
| SMILES | N1c2c(C3C[C@]45OC13C1N4C\C([C@](C5(C(=O)OC)COC(=O)C)(C1)[H])=C/C)cccc2 |
| SPLASH | splash10-052r-0946000000-c0595d21488417b7b2a3 |
| Source of Spectrum | X2-48-418-12 |
| Wiley ID | 1601702 |