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2-{Bis[4-(dimethylamino)phenyl]methyl}-1-phenylbutane-1,3-dione
SpectraBase Compound ID 7m2OBiLTmQj
InChI InChI=1S/C27H30N2O2/c1-19(30)25(27(31)22-9-7-6-8-10-22)26(20-11-15-23(16-12-20)28(2)3)21-13-17-24(18-14-21)29(4)5/h6-18,25-26H,1-5H3
InChIKey AZIMQBOGAYHWPV-UHFFFAOYSA-N
Mol Weight 414.55 g/mol
Molecular Formula C27H30N2O2
Exact Mass 414.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdJvRg10LsW
Name 2-{bis[4-(Dimethylamino)phenyl]methyl}-1-phenylbutane-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 414.230728212 u
Formula C27H30N2O2
InChI InChI=1S/C27H30N2O2/c1-19(30)25(27(31)22-9-7-6-8-10-22)26(20-11-15-23(16-12-20)28(2)3)21-13-17-24(18-14-21)29(4)5/h6-18,25-26H,1-5H3
InChIKey AZIMQBOGAYHWPV-UHFFFAOYSA-N
Molecular Weight 414.549 g/mol
SMILES C(C(=O)C=1C=CC=CC1)(C(C1=CC=C(C=C1)N(C)C)C1=CC=C(C=C1)N(C)C)C(=O)C