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4-Formyl-16-ethynyl[2.2]paracyclophane
SpectraBase Compound ID DHNBQ5jLi0K
InChI InChI=1S/C19H16O/c1-2-16-11-14-3-7-17(16)8-4-15-6-10-18(9-5-14)19(12-15)13-20/h1,3,6-7,10-13H,4-5,8-9H2
InChIKey NFZYTNLSTPCYFK-UHFFFAOYSA-N
Mol Weight 260.34 g/mol
Molecular Formula C19H16O
Exact Mass 260.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EpwddkpiHr
Name 4-Formyl-16-ethynyl[2.2]paracyclophane
Alternate Name(s) 11-ethynyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C19H16O
InChI InChI=1S/C19H16O/c1-2-16-11-14-3-7-17(16)8-4-15-6-10-18(9-5-14)19(12-15)13-20/h1,3,6-7,10-13H,4-5,8-9H2
InChIKey NFZYTNLSTPCYFK-UHFFFAOYSA-N
Molecular Weight 260.336 g/mol
SMILES C(c1c2CCc3cc(c(CCc(c1)cc2)cc3)C=O)#C
SPLASH splash10-004i-0930000000-08fa19a95108a1ae11fa
Source of Spectrum C5-2004-2757-32
Wiley ID 1617578