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1-[4-[10-Dihydroartemsininoxymethyl]benzoyl]-4-phenylpiperazine
SpectraBase Compound ID AEVmZzg7ACn
InChI InChI=1S/C33H42N2O6/c1-22-9-14-28-23(2)30(38-31-33(28)27(22)15-16-32(3,39-31)40-41-33)37-21-24-10-12-25(13-11-24)29(36)35-19-17-34(18-20-35)26-7-5-4-6-8-26/h4-8,10-13,22-23,27-28,30-31H,9,14-21H2,1-3H3
InChIKey GLJMQXZJFIXPQO-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C33H42N2O6
Exact Mass 562.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgDcHsDNAlw
Name 1-[4-[10-Dihydroartemsininoxymethyl]benzoyl]-4-phenylpiperazine
Comments Computed using HOSE algorithm
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Exact Mass 562.304287074 u
Formula C33H42N2O6
InChI InChI=1S/C33H42N2O6/c1-22-9-14-28-23(2)30(38-31-33(28)27(22)15-16-32(3,39-31)40-41-33)37-21-24-10-12-25(13-11-24)29(36)35-19-17-34(18-20-35)26-7-5-4-6-8-26/h4-8,10-13,22-23,27-28,30-31H,9,14-21H2,1-3H3
InChIKey GLJMQXZJFIXPQO-UHFFFAOYSA-N
Molecular Weight 562.707 g/mol
SMILES C1CC2C34C(OC1(C)OO4)OC(OCC1=CC=C(C(N4CCN(C5=CC=CC=C5)CC4)=O)C=C1)C(C3CCC2C)C