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Diethyl [2.2]paracyclophane-4,16-dipropenoate

View entire compound with spectra: 2 MS (GC)

Diethyl [2.2]paracyclophane-4,16-dipropenoate
SpectraBase Compound ID Je2mWCefPbF
InChI InChI=1S/C26H28O4/c1-3-29-25(27)15-13-23-17-19-5-9-21(23)11-7-20-6-10-22(12-8-19)24(18-20)14-16-26(28)30-4-2/h5-6,9-10,13-18H,3-4,7-8,11-12H2,1-2H3/b15-13+,16-14+
InChIKey IWFASQUHONDXNX-WXUKJITCSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nsqPbON1TF
Name Diethyl [2.2]paracyclophane-4,16-dipropenoate
Alternate Name(s) Diethyl [2.2]paracyclophane-4,12-dipropenoate Diethyl[2.2]paracyclophane-4,12-dipropenoate Diethyl[2.2]paracyclophane-4,16-dipropenoate Ethyl (2E)-3-[11-[(1E)-3-ethoxy-3-oxo-1-propenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2-propenoate
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Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-3-29-25(27)15-13-23-17-19-5-9-21(23)11-7-20-6-10-22(12-8-19)24(18-20)14-16-26(28)30-4-2/h5-6,9-10,13-18H,3-4,7-8,11-12H2,1-2H3/b15-13+,16-14+
InChIKey IWFASQUHONDXNX-WXUKJITCSA-N
Molecular Weight 404.506 g/mol
SMILES c1(\C=C\C(=O)OCC)c2ccc(c1)CCc1c(\C=C\C(=O)OCC)cc(CC2)cc1
SPLASH splash10-004i-0911100000-a55be893fe0e2e2cccf7
Source of Spectrum U-1995-1955-3
Wiley ID 767868