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4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl, 2-methylpropionate

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4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID 448V7dPNIzD
InChI InChI=1S/C16H11Cl5O2/c1-7(2)16(22)23-12-4-3-8(5-10(12)17)9-6-11(18)14(20)15(21)13(9)19/h3-7H,1-2H3
InChIKey RNZFEZSWPNZCSX-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 J7ST5kRWeF9
Name 4-Hydroxy-2',3,3',4',5'-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(5-10(12)17)9-6-11(18)14(20)15(21)13(9)19/h3-7H,1-2H3
InChIKey RNZFEZSWPNZCSX-UHFFFAOYSA-N
Molecular Weight 412.527 g/mol
SMILES C1(C2=C(C(=C(C(=C2)Cl)Cl)Cl)Cl)=CC(=C(C=C1)OC(C(C)C)=O)Cl