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1,4-Naphthalenedione, 2-[(4-butoxyphenyl)amino]-3-(dimethylamino)-
SpectraBase Compound ID JqQjmFyzH1h
InChI InChI=1S/C22H24N2O3/c1-4-5-14-27-16-12-10-15(11-13-16)23-19-20(24(2)3)22(26)18-9-7-6-8-17(18)21(19)25/h6-13,23H,4-5,14H2,1-3H3
InChIKey GTSIMNGMOBFHTN-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C22H24N2O3
Exact Mass 364.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGWuCEB6YMk
Name 1,4-Naphthalenedione, 2-[(4-butoxyphenyl)amino]-3-(dimethylamino)-
Comments Computed using HOSE algorithm
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Exact Mass 364.178692638 u
Formula C22H24N2O3
InChI InChI=1S/C22H24N2O3/c1-4-5-14-27-16-12-10-15(11-13-16)23-19-20(24(2)3)22(26)18-9-7-6-8-17(18)21(19)25/h6-13,23H,4-5,14H2,1-3H3
InChIKey GTSIMNGMOBFHTN-UHFFFAOYSA-N
Molecular Weight 364.445 g/mol
SMILES N(C1=C(C(=O)C2=C(C1=O)C=CC=C2)N(C)C)C1=CC=C(C=C1)OCCCC