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4-[bis(3-methyl-1-azulenyl)methyl]-N,N-dimethylaniline
SpectraBase Compound ID GbI4kviydi2
InChI InChI=1S/C31H29N/c1-21-19-29(27-13-9-5-7-11-25(21)27)31(23-15-17-24(18-16-23)32(3)4)30-20-22(2)26-12-8-6-10-14-28(26)30/h5-20,31H,1-4H3
InChIKey KHEMPIUZQGEBFN-UHFFFAOYSA-N
Mol Weight 415.58 g/mol
Molecular Formula C31H29N
Exact Mass 415.23 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsuV3AaYwM
Name 4-[bis(3-Methyl-1-azulenyl)methyl]-N,N-dimethylaniline
Comments Computed using HOSE algorithm
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Exact Mass 415.229999938 u
Formula C31H29N
InChI InChI=1S/C31H29N/c1-21-19-29(27-13-9-5-7-11-25(21)27)31(23-15-17-24(18-16-23)32(3)4)30-20-22(2)26-12-8-6-10-14-28(26)30/h5-20,31H,1-4H3
InChIKey KHEMPIUZQGEBFN-UHFFFAOYSA-N
Molecular Weight 415.580 g/mol
SMILES C1(=C2C(=CC=CC=C2)C(=C1)C)C(C1=C2C(=CC=CC=C2)C(=C1)C)C1=CC=C(C=C1)N(C)C