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1-(1,3-Benzodioxol-5-yl)-2,2-bis(chloranyl)ethanone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1-(1,3-Benzodioxol-5-yl)-2,2-bis(chloranyl)ethanone
SpectraBase Compound ID ArDY9nsOeFE
InChI InChI=1S/C9H6Cl2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,9H,4H2
InChIKey SHQVCHUYNWEOIC-UHFFFAOYSA-N
Mol Weight 233.05 g/mol
Molecular Formula C9H6Cl2O3
Exact Mass 231.969399 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 93BzwV33R1T
Name 1-(1,3-Benzodioxol-5-yl)-2,2-bis(chloranyl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.969399450 u
Formula C9H6Cl2O3
InChI InChI=1S/C9H6Cl2O3/c10-9(11)8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3,9H,4H2
InChIKey SHQVCHUYNWEOIC-UHFFFAOYSA-N
Molecular Weight 233.050 g/mol
SMILES C(C(Cl)Cl)(=O)C=1C=C2OCOC2=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879804