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methyl 2-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl ether
SpectraBase Compound ID DXOucVvdHrM
InChI InChI=1S/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3
InChIKey YPWSVFOXVRZRPQ-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C25H24N2O3
Exact Mass 400.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dzt2dPfj7Gn
Name Methyl 2-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl ether
Comments Computed using HOSE algorithm
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Exact Mass 400.178692638 u
Formula C25H24N2O3
InChI InChI=1S/C25H24N2O3/c1-29-23-13-7-4-10-20(23)26-14-16-27(17-15-26)25(28)24-18-8-2-5-11-21(18)30-22-12-6-3-9-19(22)24/h2-13,24H,14-17H2,1H3
InChIKey YPWSVFOXVRZRPQ-UHFFFAOYSA-N
Molecular Weight 400.478 g/mol
SMILES C1(C(N2CCN(CC2)C2=C(OC)C=CC=C2)=O)C=2C(=CC=CC2)OC2=C1C=CC=C2