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4-[bis(3-Methyl-1-azulenyl)methyl]benzenaldehyde

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[bis(3-Methyl-1-azulenyl)methyl]benzenaldehyde
SpectraBase Compound ID AHXvH2OPoU7
InChI InChI=1S/C30H24O/c1-20-17-28(26-11-7-3-5-9-24(20)26)30(23-15-13-22(19-31)14-16-23)29-18-21(2)25-10-6-4-8-12-27(25)29/h3-19,30H,1-2H3
InChIKey ZIOUAXKCKGGJGW-UHFFFAOYSA-N
Mol Weight 400.52 g/mol
Molecular Formula C30H24O
Exact Mass 400.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcuhE54Dlcw
Name 4-[bis(3-Methyl-1-azulenyl)methyl]benzenaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 400.182715392 u
Formula C30H24O
InChI InChI=1S/C30H24O/c1-20-17-28(26-11-7-3-5-9-24(20)26)30(23-15-13-22(19-31)14-16-23)29-18-21(2)25-10-6-4-8-12-27(25)29/h3-19,30H,1-2H3
InChIKey ZIOUAXKCKGGJGW-UHFFFAOYSA-N
Molecular Weight 400.521 g/mol
SMILES C1(=C2C(=CC=CC=C2)C(=C1)C)C(C=1C=2C(C=CC=CC2)=C(C1)C)C1=CC=C(C=O)C=C1