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2-(3-(4-(4-Methoxyphenethyl)piperazin-1-yl)-2-hydroxypropoxy)-9H-xanthen-9-one
SpectraBase Compound ID 4EGrrxW3mAj
InChI InChI=1S/C29H32N2O5/c1-34-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)19-22(32)20-35-24-10-11-28-26(18-24)29(33)25-4-2-3-5-27(25)36-28/h2-11,18,22,32H,12-17,19-20H2,1H3
InChIKey HBSYRQUNECAYFB-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C29H32N2O5
Exact Mass 488.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nJK7MHtsn6
Name 2-(3-(4-(4-Methoxyphenethyl)piperazin-1-yl)-2-hydroxypropoxy)-9H-xanthen-9-one
Comments Computed using HOSE algorithm
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Exact Mass 488.231122133 u
Formula C29H32N2O5
InChI InChI=1S/C29H32N2O5/c1-34-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)19-22(32)20-35-24-10-11-28-26(18-24)29(33)25-4-2-3-5-27(25)36-28/h2-11,18,22,32H,12-17,19-20H2,1H3
InChIKey HBSYRQUNECAYFB-UHFFFAOYSA-N
Molecular Weight 488.584 g/mol
SMILES C1(C=2C=C(C=CC2OC=2C=CC=CC12)OCC(CN1CCN(CC1)CCC=1C=CC(=CC1)OC)O)=O