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4-(2,4-dichlorophenoxy)-3-nitrobenzyl alcohol, p-chlorobenzoate
SpectraBase Compound ID 9Xcm5LkCJqX
InChI InChI=1S/C20H12Cl3NO5/c21-14-4-2-13(3-5-14)20(25)28-11-12-1-7-19(17(9-12)24(26)27)29-18-8-6-15(22)10-16(18)23/h1-10H,11H2
InChIKey LDRXTPQSKNRSPE-UHFFFAOYSA-N
Mol Weight 452.68 g/mol
Molecular Formula C20H12Cl3NO5
Exact Mass 450.978106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxTiLqmKQQa
Name 4-(2,4-DICHLOROPHENOXY)-3-NITROBENZYL ALCOHOL, p-CHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12Cl3NO5
InChI InChI=1S/C20H12Cl3NO5/c21-14-4-2-13(3-5-14)20(25)28-11-12-1-7-19(17(9-12)24(26)27)29-18-8-6-15(22)10-16(18)23/h1-10H,11H2
InChIKey LDRXTPQSKNRSPE-UHFFFAOYSA-N
Melting Point 88-90C
Molecular Weight 452.68
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZYL ALCOHOL, 4-/2,4-DICHLOROPHENOXY/-3-NITRO-, P-CHLOROBENZOATE