| SpectraBase Spectrum ID |
G2apiiu6vd1 |
| Name |
(2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)-(3,4-methylenedioxyphenyl)methane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.912190231 u |
| Formula |
C13H6Cl4O2 |
| InChI |
InChI=1S/C13H6Cl4O2/c14-10-7(11(15)13(17)12(10)16)3-6-1-2-8-9(4-6)19-5-18-8/h1-4H,5H2 |
| InChIKey |
XJRNZVAISQKTFE-UHFFFAOYSA-N |
| Molecular Weight |
336.001 g/mol |
| SMILES |
C1(=C(C(Cl)=C(C1=CC1=CC2=C(C=C1)OCO2)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801108 |
