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Intramolecular dimer of [2.2]Paracyclophane-4,15-dipropenoic acid
SpectraBase Compound ID IMiJkwSTyX7
InChI InChI=1S/C22H20O4/c23-21(24)19-17-15-9-11-1-2-12-4-6-14(8-7-13(15)5-3-11)16(10-12)18(17)20(19)22(25)26/h3-6,9-10,17-20H,1-2,7-8H2,(H,23,24)(H,25,26)/t17-,18+,19?,20?
InChIKey ANUBCXFYTWXIJZ-VCWRXUFXSA-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 IkVEqRKMWS1
Name Intramolecular dimer of [2.2]Paracyclophane-4,15-dipropenoic acid
Alternate Name(s) Pentacyclo[8.8.2.0(3,16).0(4,7).0(8,13)]icosa-1(18),2,8,10,12,16-hexaene-5,6-dicarboxylic acid
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Formula C22H20O4
InChI InChI=1S/C22H20O4/c23-21(24)19-17-15-9-11-1-2-12-4-6-14(8-7-13(15)5-3-11)16(10-12)18(17)20(19)22(25)26/h3-6,9-10,17-20H,1-2,7-8H2,(H,23,24)(H,25,26)/t17-,18+,19?,20?
InChIKey ANUBCXFYTWXIJZ-VCWRXUFXSA-N
Molecular Weight 348.398 g/mol
SMILES OC(C1C(C(=O)O)[C@@]2([C@]1(c1cc3CCc4ccc(c2c4)CCc1cc3)[H])[H])=O
SPLASH splash10-056r-0904000000-6d24f977b668ce6768fb
Source of Spectrum U-1995-1955-5
Wiley ID 767864