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Propanedioic acid, (4-phenyl-2-butenyl)-, diethyl ester, (E)-
SpectraBase Compound ID Jid7JRudPKI
InChI InChI=1S/C17H22O4/c1-3-20-16(18)15(17(19)21-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-11,15H,3-4,12-13H2,1-2H3/b9-8+
InChIKey FJPXVVGIVHMKOY-CMDGGOBGSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EpedAdzJMP
Name Propanedioic acid, (4-phenyl-2-butenyl)-, diethyl ester, (E)-
Alternate Name(s) 2-(ethoxycarbonyl)-6-phenylhex-4-enoic acid ethyl ester Diethyl 2-[(2E)-4-phenyl-2-butenyl]malonate
CAS Registry Number 82819-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-3-20-16(18)15(17(19)21-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-11,15H,3-4,12-13H2,1-2H3/b9-8+
InChIKey FJPXVVGIVHMKOY-CMDGGOBGSA-N
Molecular Weight 290.359 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C\C=C\Cc1ccccc1
SPLASH splash10-001i-2900000000-3b60023165becc1342bf
Source of Spectrum AJ-57-1125-4
Wiley ID 1293753