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Benzenepropanoic acid, 5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxy-, ethyl ester
SpectraBase Compound ID H6MlBRNtwqv
InChI InChI=1S/C19H14Cl2N2O5/c1-2-27-15(25)6-3-10-7-11(4-5-14(10)24)28-19-13(9-23)12(8-22)18(26)16(20)17(19)21/h4-5,7,24,26H,2-3,6H2,1H3
InChIKey GSNRWUCWCPOKNR-UHFFFAOYSA-N
Mol Weight 421.24 g/mol
Molecular Formula C19H14Cl2N2O5
Exact Mass 420.027977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6o6jBTbgssJ
Name Benzenepropanoic acid, 5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxy-, ethyl ester
CAS Registry Number 59116-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14Cl2N2O5
InChI InChI=1S/C19H14Cl2N2O5/c1-2-27-15(25)6-3-10-7-11(4-5-14(10)24)28-19-13(9-23)12(8-22)18(26)16(20)17(19)21/h4-5,7,24,26H,2-3,6H2,1H3
InChIKey GSNRWUCWCPOKNR-UHFFFAOYSA-N
Molecular Weight 421.236 g/mol
SMILES Oc1c(c(c(Oc2ccc(c(c2)CCC(=O)OCC)O)c(c1Cl)Cl)C#N)C#N
SPLASH splash10-0092-0009000000-917add6d57671be51a5d
Source of Spectrum KC-1976-409-0
Synonyms Ethyl 3-(2-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-5-hydroxy)phenylpropanoate Ethyl 3-[5-(2,3-dichloro-5,6-dicyano-4-hydroxyphenoxy)-2-hydroxyphenyl]propanoate
Wiley ID 1377805