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[2.2]-Paracyclophane-4,7-dicarboxylic acid

View entire compound with spectra: 2 MS (GC)

[2.2]-Paracyclophane-4,7-dicarboxylic acid
SpectraBase Compound ID 4km7XmG4oSC
InChI InChI=1S/C18H16O4/c19-17(20)15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(10-12)18(21)22/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,20)(H,21,22)
InChIKey ZGTYJGWYFNPOBU-UHFFFAOYSA-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 99ZC2yXUX4M
Name [2.2]-Paracyclophane-4,7-dicarboxylic acid
Alternate Name(s) [2.2]-Paracyclophane-(pseudo-ortho)-dicarboxylic acid Tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarboxylic acid Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,11-dicarboxylic acid
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Formula C18H16O4
InChI InChI=1S/C18H16O4/c19-17(20)15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(10-12)18(21)22/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,20)(H,21,22)
InChIKey ZGTYJGWYFNPOBU-UHFFFAOYSA-N
Molecular Weight 296.322 g/mol
SMILES OC(c1cc2CCc3c(C(=O)O)cc(CCc1cc2)cc3)=O
SPLASH splash10-0udi-1920000000-21bc5b187a36dc4be45e
Source of Spectrum H-85-438-0
Wiley ID 1524021