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Dieethyl [2.2]paracyclophane-4,13-dipropenoate
SpectraBase Compound ID 1U04eoISB0k
InChI InChI=1S/C26H28O4/c1-3-29-25(27)15-13-23-17-19-5-6-20-8-10-22(12-11-21(23)9-7-19)24(18-20)14-16-26(28)30-4-2/h7-10,13-18H,3-6,11-12H2,1-2H3/b15-13+,16-14+
InChIKey JIWCXBXKIRDEOW-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 F0RHEH1vVBw
Name Dieethyl [2.2]paracyclophane-4,13-dipropenoate
Alternate Name(s) Ethyl (2E)-3-[12-[(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)15-13-23-17-19-5-6-20-8-10-22(12-11-21(23)9-7-19)24(18-20)14-16-26(28)30-4-2/h7-10,13-18H,3-6,11-12H2,1-2H3/b15-13+,16-14+
InChIKey JIWCXBXKIRDEOW-WXUKJITCSA-N
Molecular Weight 404.506 g/mol
SMILES c1(\C=C\C(=O)OCC)c2CCc3c(\C=C\C(=O)OCC)cc(CCc(c1)cc2)cc3
SPLASH splash10-0kdi-0952000000-c412b5cb14852d7bfa41
Source of Spectrum U-1995-1955-4
Wiley ID 767866