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(6Z)-1-benzyl-6-m-anisylidene-piperazine-2,5-quinone
SpectraBase Compound ID C0jBBcMRjuK
InChI InChI=1S/C19H18N2O3/c1-24-16-9-5-8-15(10-16)11-17-19(23)20-12-18(22)21(17)13-14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,20,23)/b17-11-
InChIKey QXPWCVDWMYXXSS-BOPFTXTBSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4Jh0Wy20uC
Name (6Z)-1-Benzyl-6-m-anisylidene-piperazine-2,5-quinone
Comments Computed using HOSE algorithm
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Exact Mass 322.131742445 u
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-24-16-9-5-8-15(10-16)11-17-19(23)20-12-18(22)21(17)13-14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,20,23)/b17-11-
InChIKey QXPWCVDWMYXXSS-BOPFTXTBSA-N
Molecular Weight 322.364 g/mol
SMILES C1(\C(N(C(CN1)=O)CC=1C=CC=CC1)=C\C=1C=C(OC)C=CC1)=O