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(3Z)-1-acetyl-3-[(6-benzoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-(4-methoxy-3-methyl-benzyl)piperazine-2,5-quinone
SpectraBase Compound ID KJkddPDi6EU
InChI InChI=1S/C31H30N2O7/c1-18-12-22(10-11-26(18)37-4)13-25-30(35)32-24(31(36)33(25)20(3)34)14-23-15-27-29(40-17-39-27)19(2)28(23)38-16-21-8-6-5-7-9-21/h5-12,14-15,25H,13,16-17H2,1-4H3,(H,32,35)/b24-14-
InChIKey JBDDEOUXEPQCHF-OYKKKHCWSA-N
Mol Weight 542.59 g/mol
Molecular Formula C31H30N2O7
Exact Mass 542.205301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TojSjzbaP2
Name (3Z)-1-acetyl-3-[(6-benzoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-(4-methoxy-3-methyl-benzyl)piperazine-2,5-quinone
Alternate Name(s) (3Z)-1-acetyl-3-[(6-benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-[(4-methoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione (3Z)-1-acetyl-6-[(4-methoxy-3-methylphenyl)methyl]-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione (3Z)-1-ethanoyl-6-[(4-methoxy-3-methyl-phenyl)methyl]-3-[(7-methyl-6-phenylmethoxy-1,3-benzodioxol-5-yl)methylidene]piperazine-2,5-dione
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Formula C31H30N2O7
InChI InChI=1S/C31H30N2O7/c1-18-12-22(10-11-26(18)37-4)13-25-30(35)32-24(31(36)33(25)20(3)34)14-23-15-27-29(40-17-39-27)19(2)28(23)38-16-21-8-6-5-7-9-21/h5-12,14-15,25H,13,16-17H2,1-4H3,(H,32,35)/b24-14-
InChIKey JBDDEOUXEPQCHF-OYKKKHCWSA-N
Molecular Weight 542.588 g/mol
SMILES N1\C(C(N(C(C1=O)Cc1cc(C)c(cc1)OC)C(=O)C)=O)=C/c1c(c(C)c2c(c1)OCO2)OCc1ccccc1
SPLASH splash10-052o-0900520000-1b8de91cbb051fd868d7
Source of Spectrum KC-0-68-11
Wiley ID 786984