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[2,2]-paracyclophane-4,16-dicarboxylic acid
SpectraBase Compound ID 8qqixuauaEW
InChI InChI=1S/C18H16O4/c19-17(20)14-3-1-2-11-4-6-12(7-5-11)8-9-13-15(14)10-16(13)18(21)22/h3-7,10H,1-2,8-9H2,(H,19,20)(H,21,22)/b14-3+
InChIKey MDEVLTOBBKPNHU-LZWSPWQCSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ki0lRU2aHk
Name [2,2]-paracyclophane-4,16-dicarboxylic acid
Alternate Name(s) Tricyclo[10.2.2.0(4,7)]hexadeca-1(14),4(7),5,8,12,15-hexaene-5,8-dicarboxylic acid Tricyclo[8.2.2.2(6,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylic acid
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Formula C18H16O4
InChI InChI=1S/C18H16O4/c19-17(20)14-3-1-2-11-4-6-12(7-5-11)8-9-13-15(14)10-16(13)18(21)22/h3-7,10H,1-2,8-9H2,(H,19,20)(H,21,22)/b14-3+
InChIKey MDEVLTOBBKPNHU-LZWSPWQCSA-N
Molecular Weight 296.322 g/mol
SMILES OC(C1=CC2=C1CCc1ccc(CC\C=C\2C(=O)O)cc1)=O
SPLASH splash10-0udi-1920000000-21bc5b187a36dc4be45e
Source of Spectrum H-85-438-0
Wiley ID 1523988