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1,3-Benzenediol, o-dichloroacetyl-o'-trichloroacetyl-
SpectraBase Compound ID 49e6Lcs1OHd
InChI InChI=1S/C10H5Cl5O4/c11-7(12)8(16)18-5-2-1-3-6(4-5)19-9(17)10(13,14)15/h1-4,7H
InChIKey HSDFJZAPOMMVMD-UHFFFAOYSA-N
Mol Weight 366.4 g/mol
Molecular Formula C10H5Cl5O4
Exact Mass 363.863047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IszhnPTQRgk
Name 1,3-Benzenediol, o-dichloroacetyl-o'-trichloroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.863047137 u
Formula C10H5Cl5O4
InChI InChI=1S/C10H5Cl5O4/c11-7(12)8(16)18-5-2-1-3-6(4-5)19-9(17)10(13,14)15/h1-4,7H
InChIKey HSDFJZAPOMMVMD-UHFFFAOYSA-N
Molecular Weight 366.411 g/mol
SMILES C1(=CC(=CC=C1)OC(C(Cl)(Cl)Cl)=O)OC(C(Cl)Cl)=O