| SpectraBase Spectrum ID |
EK28qPzcFKL |
| Name |
1-(1-Chloro-8-methoxy-2-phenanthryl)-2-(2',3'-dimethoxyphenyl)ethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.117922233 u |
| Formula |
C25H21ClO3 |
| InChI |
InChI=1S/C25H21ClO3/c1-27-22-8-5-7-18-19-13-12-16(24(26)21(19)15-14-20(18)22)10-11-17-6-4-9-23(28-2)25(17)29-3/h4-15H,1-3H3/b11-10+ |
| InChIKey |
JTKURUAOKBRFEF-ZHACJKMWSA-N |
| Molecular Weight |
404.893 g/mol |
| SMILES |
C=12C(=C(Cl)C(\C=C\C=3C(=C(OC)C=CC3)OC)=CC1)C=CC=1C2=CC=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867107 |
