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(-)-(6S)-(Z)-(4-methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzylidene)-6-methylpiperazine-2,5-dione
SpectraBase Compound ID Fh9RRjaLTg8
InChI InChI=1S/C24H28N2O6/c1-14-21(31-5)17(12-20(30-4)22(14)32-6)11-19-24(28)26(15(2)23(27)25-19)13-16-7-9-18(29-3)10-8-16/h7-12,15H,13H2,1-6H3,(H,25,27)/b19-11-/t15-/m0/s1
InChIKey NCCYHYLXHKOMBQ-VUQQOUJSSA-N
Mol Weight 440.5 g/mol
Molecular Formula C24H28N2O6
Exact Mass 440.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlmtkvS6cpq
Name (-)-(6S)-(Z)-(4-methoxybenzyl)-3-(2,4,5-trimethoxy-3-methylbenzylidene)-6-methylpiperazine-2,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 440.194736624 u
Formula C24H28N2O6
InChI InChI=1S/C24H28N2O6/c1-14-21(31-5)17(12-20(30-4)22(14)32-6)11-19-24(28)26(15(2)23(27)25-19)13-16-7-9-18(29-3)10-8-16/h7-12,15H,13H2,1-6H3,(H,25,27)/b19-11-/t15-/m0/s1
InChIKey NCCYHYLXHKOMBQ-VUQQOUJSSA-N
Molecular Weight 440.496 g/mol
SMILES C1(N([C@](C(N\C1=C\C=1C(=C(C)C(=C(C1)OC)OC)OC)=O)(C)[H])CC=1C=CC(=CC1)OC)=O