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2-Hydroxy-2',3',5,5',6'-pentachlorobiphenyl, 2-methylpropionate

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2-Hydroxy-2',3',5,5',6'-pentachlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID 32zaPaASwAV
InChI InChI=1S/C16H11Cl5O2/c1-7(2)16(22)23-12-4-3-8(17)5-9(12)13-14(20)10(18)6-11(19)15(13)21/h3-7H,1-2H3
InChIKey CYSFHXHLRJHESJ-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C16H11Cl5O2
Exact Mass 409.920168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1S9n0nx0ufC
Name 2-Hydroxy-2',3',5,5',6'-pentachlorobiphenyl, 2-methylpropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.920168092 u
Formula C16H11Cl5O2
InChI InChI=1S/C16H11Cl5O2/c1-7(2)16(22)23-12-4-3-8(17)5-9(12)13-14(20)10(18)6-11(19)15(13)21/h3-7H,1-2H3
InChIKey CYSFHXHLRJHESJ-UHFFFAOYSA-N
Molecular Weight 412.527 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=C(C=CC(=C1)Cl)OC(C(C)C)=O