| SpectraBase Compound ID | BpMOk8SCpXf |
|---|---|
| InChI | InChI=1S/C20H22N2O4/c1-11-12(9-23)14-7-16-19(8-17(21-16)20(14,25)10-26-11)13-5-3-4-6-15(13)22(2)18(19)24/h3-6,9,14,16-17,21,25H,7-8,10H2,1-2H3/t14-,16-,17-,19-,20-/m0/s1 |
| InChIKey | GZMCRBONSRHEMV-CBOSDZJASA-N |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C20H22N2O4 |
| Exact Mass | 354.157957 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | YsZGN0u4ry |
|---|---|
| Name | 16-Hydroxyalstonal |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22N2O4 |
| InChI | InChI=1S/C20H22N2O4/c1-11-12(9-23)14-7-16-19(8-17(21-16)20(14,25)10-26-11)13-5-3-4-6-15(13)22(2)18(19)24/h3-6,9,14,16-17,21,25H,7-8,10H2,1-2H3/t14-,16-,17-,19-,20-/m0/s1 |
| InChIKey | GZMCRBONSRHEMV-CBOSDZJASA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np034041v |
| Molecular Weight | 354.406 g/mol |
| Optical Rotation | [a]D = +153 (c = 0.26, CHCl3) |
| Reported Formula | C20H22N2O4 |
| SMILES | N1[C@@]2([C@@]3(C[C@]1([C@]1([C@](C2)([H])C(C=O)=C(OC1)C)O)[H])C(N(c1ccccc31)C)=O)[H] |
| SPLASH | splash10-0h00-1903000000-f4e7da63e2209c80efa8 |
| Source of Spectrum | G4-67-552-6 |
| Wiley ID | 1881762 |