| SpectraBase Spectrum ID |
79Hhe60cAGL |
| Name |
16,17-Seco-3-methoxyestra-1,3,5(10)-trien-17-al-(p-chlorophenyl)-hydrazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.228141390 u |
| Formula |
C26H33ClN2O |
| InChI |
InChI=1S/C26H33ClN2O/c1-4-5-25-24-12-6-18-16-21(30-3)11-13-22(18)23(24)14-15-26(25,2)17-28-29-20-9-7-19(27)8-10-20/h7-11,13,16-17,23-25,29H,4-6,12,14-15H2,1-3H3/b28-17+/t23-,24-,25+,26-/m1/s1 |
| InChIKey |
XQNOLXCTTFVBGB-FQSHPURFSA-N |
| Molecular Weight |
425.016 g/mol |
| SMILES |
[C@]12([C@]([C@@]([C@](\C=N\NC=3C=CC(Cl)=CC3)(C)CC1)(CCC)[H])(CCC1=C2C=CC(OC)=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870388 |
