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Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-5-carboxylic acid
SpectraBase Compound ID LY8CTJGtyn8
InChI InChI=1S/C19H20O2/c20-19(21)18-13-16-4-2-1-3-14-5-7-15(8-6-14)9-11-17(18)12-10-16/h5-8,10,12-13H,1-4,9,11H2,(H,20,21)
InChIKey VBSZDJXTPHEUSQ-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AarMzkFaiFH
Name Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-5-carboxylic acid
Alternate Name(s) [4.2]paracyclophane-7-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c20-19(21)18-13-16-4-2-1-3-14-5-7-15(8-6-14)9-11-17(18)12-10-16/h5-8,10,12-13H,1-4,9,11H2,(H,20,21)
InChIKey VBSZDJXTPHEUSQ-UHFFFAOYSA-N
Molecular Weight 280.367 g/mol
SMILES OC(c1c2CCc3ccc(CCCCc(c1)cc2)cc3)=O
SPLASH splash10-0a59-0930000000-22cd48872669e593ff75
Source of Spectrum U1-2009-246-25
Wiley ID 1662368