SpectraBase Spectrum ID |
Ad2yHrRjikP |
Name |
1,3-Dioxaspiro[4.5]deca-6,9-dien-8-one, 6,7,9,10-tetrachloro-2-(trichloromethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
403.790187854 u |
Formula |
C9H3Cl7O3 |
InChI |
InChI=1S/C9H3Cl7O3/c10-2-4(17)3(11)6(13)8(5(2)12)1-18-7(19-8)9(14,15)16/h7H,1H2 |
InChIKey |
PKXLAATXVSHQHD-UHFFFAOYSA-N |
Molecular Weight |
407.291 g/mol |
SMILES |
C12(C(=C(Cl)C(C(=C2Cl)Cl)=O)Cl)OC(C(Cl)(Cl)Cl)OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886237 |