| SpectraBase Spectrum ID |
J4PJQXYkrQR |
| Name |
16,17-Seco-3-methoxyestra-1,3,5(10)-trien-17-al-(2',4'-dinitrophenyl)-hydrazone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.237270141 u |
| Formula |
C26H32N4O5 |
| InChI |
InChI=1S/C26H32N4O5/c1-4-5-23-22-9-6-17-14-19(35-3)8-10-20(17)21(22)12-13-26(23,2)16-27-28-24-11-7-18(29(31)32)15-25(24)30(33)34/h7-8,10-11,14-16,21-23,28H,4-6,9,12-13H2,1-3H3/b27-16+/t21-,22-,23+,26-/m1/s1 |
| InChIKey |
QKKNQNFAJSFPKC-GQLULVLTSA-N |
| Molecular Weight |
480.565 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC=C1N\N=C\[C@@]1([C@]([C@@]2(CCC3=C([C@]2(CC1)[H])C=CC(OC)=C3)[H])(CCC)[H])C |
