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Benzenepropanoic acid, 5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxy-, methyl ester
SpectraBase Compound ID 2f7yFhwklrP
InChI InChI=1S/C18H12Cl2N2O5/c1-26-14(24)5-2-9-6-10(3-4-13(9)23)27-18-12(8-22)11(7-21)17(25)15(19)16(18)20/h3-4,6,23,25H,2,5H2,1H3
InChIKey UNKFBURIHAIMJX-UHFFFAOYSA-N
Mol Weight 407.21 g/mol
Molecular Formula C18H12Cl2N2O5
Exact Mass 406.012327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ymKhPqKZJc
Name Benzenepropanoic acid, 5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxy-, methyl ester
Alternate Name(s) Methyl 3-(2-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-5-hydroxy)phenylpropanoate Methyl 3-[5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxyphenyl]propanoate
CAS Registry Number 59116-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2N2O5
InChI InChI=1S/C18H12Cl2N2O5/c1-26-14(24)5-2-9-6-10(3-4-13(9)23)27-18-12(8-22)11(7-21)17(25)15(19)16(18)20/h3-4,6,23,25H,2,5H2,1H3
InChIKey UNKFBURIHAIMJX-UHFFFAOYSA-N
Molecular Weight 407.209 g/mol
SMILES Oc1c(c(c(Oc2ccc(c(c2)CCC(=O)OC)O)c(c1Cl)Cl)C#N)C#N
SPLASH splash10-00ba-0009000000-0ebb033ec2826b087a50
Source of Spectrum KC-1976-409-0
Wiley ID 1371970