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

View entire compound with spectra: 1 NMR

4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID 5KoVW4GmTd7
InChI InChI=1S/C16H11Cl5O2/c1-7(2)16(22)23-12-4-3-8(5-9(12)17)13-14(20)10(18)6-11(19)15(13)21/h3-7H,1-2H3
InChIKey RPLACAXPWWRAES-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 2FGSqsRjetH
Name 4-Hydroxy-2',3,3',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(5-9(12)17)13-14(20)10(18)6-11(19)15(13)21/h3-7H,1-2H3
InChIKey RPLACAXPWWRAES-UHFFFAOYSA-N
Molecular Weight 412.527 g/mol
SMILES C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=CC(=C(C=C1)OC(C(C)C)=O)Cl