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[2.2]Paracyclophane-4,15-dipropenoic acid
SpectraBase Compound ID GZQbsmb8FvV
InChI InChI=1S/C22H20O4/c23-21(24)11-9-19-13-15-1-2-16-4-6-18(8-7-17(19)5-3-15)20(14-16)10-12-22(25)26/h3-6,9-14H,1-2,7-8H2,(H,23,24)(H,25,26)/b11-9+,12-10+
InChIKey PZDGJGCAMCNASV-WGDLNXRISA-N
Mol Weight 348.4 g/mol
Molecular Formula C22H20O4
Exact Mass 348.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3p1jExsxRF
Name [2.2]Paracyclophane-4,15-dipropenoic acid
Alternate Name(s) (2E)-3-[12-[(E)-2-carboxyethenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2-propenoic acid
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Formula C22H20O4
InChI InChI=1S/C22H20O4/c23-21(24)11-9-19-13-15-1-2-16-4-6-18(8-7-17(19)5-3-15)20(14-16)10-12-22(25)26/h3-6,9-14H,1-2,7-8H2,(H,23,24)(H,25,26)/b11-9+,12-10+
InChIKey PZDGJGCAMCNASV-WGDLNXRISA-N
Molecular Weight 348.398 g/mol
SMILES OC(\C=C\c1c2CCc3c(\C=C\C(=O)O)cc(CCc(c1)cc2)cc3)=O
SPLASH splash10-0a7i-0904000000-50676c99b6ebc8b8e675
Source of Spectrum U-1995-1955-1
Wiley ID 767865