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6-cyano-6-(3,5-dimethoxyphenyl)-5-keto-hexanoic acid methyl ester
SpectraBase Compound ID JIp6xhATJcr
InChI InChI=1S/C16H19NO5/c1-20-12-7-11(8-13(9-12)21-2)14(10-17)15(18)5-4-6-16(19)22-3/h7-9,14H,4-6H2,1-3H3
InChIKey WBNMSCBWCGXWTG-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeaoBinXOgp
Name 6-cyano-6-(3,5-dimethoxyphenyl)-5-keto-hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-20-12-7-11(8-13(9-12)21-2)14(10-17)15(18)5-4-6-16(19)22-3/h7-9,14H,4-6H2,1-3H3
InChIKey WBNMSCBWCGXWTG-UHFFFAOYSA-N
Molecular Weight 305.330 g/mol
SMILES c1(C(C#N)C(=O)CCCC(=O)OC)cc(OC)cc(c1)OC
SPLASH splash10-0pdi-6900000000-3368e2cc20d4e43d8154
Source of Spectrum J-62-6940-0
Synonyms 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxohexanoic acid methyl ester Methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxidanylidene-hexanoate Methyl 6-cyano-6-(3,5-dimethoxyphenyl)-5-oxo-hexanoate
Wiley ID 1307283