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2-Cyano-3-(3,5-dimethoxyphenyl)-2-hexenoic acid ethyl ester
SpectraBase Compound ID BsIwdaxkwS
InChI InChI=1S/C17H21NO4/c1-5-7-15(16(11-18)17(19)22-6-2)12-8-13(20-3)10-14(9-12)21-4/h8-10H,5-7H2,1-4H3
InChIKey AUINPHXKPXCUBE-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdmN6j9RYd5
Name 2-Cyano-3-(3,5-dimethoxyphenyl)-2-hexenoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-5-7-15(16(11-18)17(19)22-6-2)12-8-13(20-3)10-14(9-12)21-4/h8-10H,5-7H2,1-4H3
InChIKey AUINPHXKPXCUBE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560149
Molecular Weight 303.358 g/mol
SMILES C(c1cc(cc(c1)OC)OC)(=C(C(OCC)=O)C#N)CCC
SPLASH splash10-0kai-0492000000-3035dbad302c9a8b5b71
Source of Spectrum H-56-522-3
Synonyms Ethyl 2-cyano-3-(3,5-dimethoxyphenyl)hex-2-enoate
Wiley ID 1797083