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1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

View entire compound with spectra: 1 NMR

1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SpectraBase Compound ID 4dOEVPkRQxK
InChI InChI=1S/C21H29FN2O2/c1-2-21(10-4-3-5-11-21)26-17-20(25)16-23-12-14-24(15-13-23)19-8-6-18(22)7-9-19/h1,6-9,20,25H,3-5,10-17H2
InChIKey UOQIGMZTLWHOOA-UHFFFAOYSA-N
Mol Weight 360.47 g/mol
Molecular Formula C21H29FN2O2
Exact Mass 360.221306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7RMHYNkAKq
Name 1-[(1-Ethynylcyclohexyl)oxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
Comments Computed using HOSE algorithm
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Exact Mass 360.221306343 u
Formula C21H29FN2O2
InChI InChI=1S/C21H29FN2O2/c1-2-21(10-4-3-5-11-21)26-17-20(25)16-23-12-14-24(15-13-23)19-8-6-18(22)7-9-19/h1,6-9,20,25H,3-5,10-17H2
InChIKey UOQIGMZTLWHOOA-UHFFFAOYSA-N
Molecular Weight 360.473 g/mol
SMILES C(OC1(C#C)CCCCC1)C(CN1CCN(CC1)C1=CC=C(C=C1)F)O