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1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol
SpectraBase Compound ID J1MGlr1KH5o
InChI InChI=1S/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3
InChIKey UWDDRCRFIZGSCD-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C22H32N2O3
Exact Mass 372.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQKVrrZirV0
Name 1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol
Comments Computed using HOSE algorithm
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Exact Mass 372.241292895 u
Formula C22H32N2O3
InChI InChI=1S/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3
InChIKey UWDDRCRFIZGSCD-UHFFFAOYSA-N
Molecular Weight 372.509 g/mol
SMILES C(OC1(C#C)CCCCC1)C(CN1CCN(CC1)C1=C(OC)C=CC=C1)O