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4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester
SpectraBase Compound ID 4zyIW3EDE3m
InChI InChI=1S/C23H33NO6/c1-5-27-21(28-6-2)15-19(20(16-24)23(26)30-8-4)14-11-17-9-12-18(13-10-17)22(25)29-7-3/h9-10,12-13,19-21H,5-8,11,14-15H2,1-4H3
InChIKey MLXFSUHZEYHKQR-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H33NO6
Exact Mass 419.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYRVdNrpiM3
Name 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-keto-pentyl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO6
InChI InChI=1S/C23H33NO6/c1-5-27-21(28-6-2)15-19(20(16-24)23(26)30-8-4)14-11-17-9-12-18(13-10-17)22(25)29-7-3/h9-10,12-13,19-21H,5-8,11,14-15H2,1-4H3
InChIKey MLXFSUHZEYHKQR-UHFFFAOYSA-N
Molecular Weight 419.518 g/mol
SMILES C(C(=O)OCC)(C#N)C(CC(OCC)OCC)CCc1ccc(C(=O)OCC)cc1
SPLASH splash10-00b9-0569000000-73d87cc9fbef1d4850cf
Source of Spectrum SK-28-1903-5
Synonyms 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxopentyl]benzoic acid ethyl ester Ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate Ethyl 4-[4-cyano-3-(2,2-diethoxyethyl)-5-ethoxy-5-oxo-pentyl]benzoate
Wiley ID 868566