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2-(4-Dimethylaminoanilino)-3-piperidino-1,4-naphthoquinone
SpectraBase Compound ID ERQyniSFeFR
InChI InChI=1S/C23H25N3O2/c1-25(2)17-12-10-16(11-13-17)24-20-21(26-14-6-3-7-15-26)23(28)19-9-5-4-8-18(19)22(20)27/h4-5,8-13,24H,3,6-7,14-15H2,1-2H3
InChIKey JBDQYTQQAWJOSJ-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C23H25N3O2
Exact Mass 375.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXaVngfJwU9
Name 2-(4-Dimethylaminoanilino)-3-piperidino-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.194677055 u
Formula C23H25N3O2
InChI InChI=1S/C23H25N3O2/c1-25(2)17-12-10-16(11-13-17)24-20-21(26-14-6-3-7-15-26)23(28)19-9-5-4-8-18(19)22(20)27/h4-5,8-13,24H,3,6-7,14-15H2,1-2H3
InChIKey JBDQYTQQAWJOSJ-UHFFFAOYSA-N
Molecular Weight 375.472 g/mol
SMILES C12=C(C(C(=C(C2=O)N2CCCCC2)NC2=CC=C(C=C2)N(C)C)=O)C=CC=C1