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Ethyl (3E)-(anti)-[2.2]metacyclophan-4-yl-2-propenoate
SpectraBase Compound ID LDGrmOedqjR
InChI InChI=1S/C21H22O2/c1-2-23-21(22)13-12-19-10-8-18-7-6-16-4-3-5-17(14-16)9-11-20(19)15-18/h3-5,8,10,12-15H,2,6-7,9,11H2,1H3/b13-12+
InChIKey QTLIDQMLHJQAIN-OUKQBFOZSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4kDA8BYmby
Name Ethyl (3E)-(anti)-[2.2]metacyclophan-4-yl-2-propenoate
Alternate Name(s) Ethyl (2E)-3-tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl-2-propenoate
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Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-2-23-21(22)13-12-19-10-8-18-7-6-16-4-3-5-17(14-16)9-11-20(19)15-18/h3-5,8,10,12-15H,2,6-7,9,11H2,1H3/b13-12+
InChIKey QTLIDQMLHJQAIN-OUKQBFOZSA-N
Molecular Weight 306.405 g/mol
SMILES C(\C=C\c1c2cc(cc1)CCc1cccc(c1)CC2)(=O)OCC
SPLASH splash10-0kdi-0393000000-29a34e9a0ec4c1ed5bfc
Source of Spectrum K-126-171-13
Wiley ID 1308643