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2-Propenoic acid, 2-cyano-3-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, ethyl ester, [S-(E,E)]-
SpectraBase Compound ID 8NrWp0CQnsa
InChI InChI=1S/C19H21NO4/c1-4-14(3)24-18(21)11-10-15-6-8-16(9-7-15)12-17(13-20)19(22)23-5-2/h6-12,14H,4-5H2,1-3H3/b11-10+,17-12+
InChIKey YPWUDPQUDRVISE-SXSSDGSKSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeWh64iYrd1
Name 2-Propenoic acid, 2-cyano-3-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, ethyl ester, [S-(E,E)]-
CAS Registry Number 64666-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-4-14(3)24-18(21)11-10-15-6-8-16(9-7-15)12-17(13-20)19(22)23-5-2/h6-12,14H,4-5H2,1-3H3/b11-10+,17-12+
InChIKey YPWUDPQUDRVISE-SXSSDGSKSA-N
Molecular Weight 327.380 g/mol
SMILES CCOC(=O)\C(=C\c1ccc(\C=C\C(=O)OC(C)CC)cc1)C#N
SPLASH splash10-0fmi-0391000000-cbbe1f26f3ee97b8069e
Source of Spectrum C-100-2843-0
Synonyms (E)-2-cyano-3-[4-[(E)-3-keto-3-sec-butoxy-prop-1-enyl]phenyl]acrylic acid ethyl ester (E)-3-[4-[(E)-3-butan-2-yloxy-3-oxoprop-1-enyl]phenyl]-2-cyano-2-propenoic acid ethyl ester Ethyl (E)-2-cyano-3-[4-[(E)-3-oxo-3-sec-butoxy-prop-1-enyl]phenyl]prop-2-enoate Ethyl (E)-3-[4-[(E)-3-butan-2-yloxy-3-oxidanylidene-prop-1-enyl]phenyl]-2-cyano-prop-2-enoate Ethyl (E)-3-[4-[(E)-3-butan-2-yloxy-3-oxoprop-1-enyl]phenyl]-2-cyanoprop-2-enoate
Wiley ID 1325570