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(+-)-1-(Phenylmethylene)-4-[4'-(phenylethynyl)phenyl]cyclohexane
SpectraBase Compound ID 49GkI0uNRvC
InChI InChI=1S/C27H24/c1-3-7-22(8-4-1)11-12-23-13-17-26(18-14-23)27-19-15-25(16-20-27)21-24-9-5-2-6-10-24/h1-10,13-14,17-18,21,27H,15-16,19-20H2/b25-21-
InChIKey FJGYHZYLAXDHHX-DAFNUICNSA-N
Mol Weight 348.49 g/mol
Molecular Formula C27H24
Exact Mass 348.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3U5CrUtn8aY
Name (+-)-1-(phenylmethylene)-4-[4'-(phenylethynyl)phenyl]cyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 348.187800773 u
Formula C27H24
InChI InChI=1S/C27H24/c1-3-7-22(8-4-1)11-12-23-13-17-26(18-14-23)27-19-15-25(16-20-27)21-24-9-5-2-6-10-24/h1-10,13-14,17-18,21,27H,15-16,19-20H2/b25-21-
InChIKey FJGYHZYLAXDHHX-DAFNUICNSA-N
Molecular Weight 348.489 g/mol
SMILES C(#CC=1C=CC=CC1)C=1C=CC(=CC1)C1CCC(=CC=2C=CC=CC2)CC1