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25-{4'-[2.2.2]Paracyclophanyl}acrylaldehyde
SpectraBase Compound ID IyCXI9zn1a
InChI InChI=1S/C27H26O/c28-19-1-2-27-20-25-14-13-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)15-17-26(27)18-16-25/h1-2,5-12,16,18-20H,3-4,13-15,17H2/b2-1+
InChIKey NEFWMQMGXNAULI-OWOJBTEDSA-N
Mol Weight 366.5 g/mol
Molecular Formula C27H26O
Exact Mass 366.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gcvf6lYlw3
Name 25-{4'-[2.2.2]Paracyclophanyl}acrylaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C27H26O
InChI InChI=1S/C27H26O/c28-19-1-2-27-20-25-14-13-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)15-17-26(27)18-16-25/h1-2,5-12,16,18-20H,3-4,13-15,17H2/b2-1+
InChIKey NEFWMQMGXNAULI-OWOJBTEDSA-N
Molecular Weight 366.504 g/mol
SMILES c1(c2CCc3ccc(cc3)CCc3ccc(CCc(c1)cc2)cc3)\C=C\C=O
SPLASH splash10-066r-0709000000-0fadc4fbf0e986ab77e7
Source of Spectrum U-1995-1524-10
Wiley ID 767311