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1-[4-(2-Methoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol, tms derivative
SpectraBase Compound ID 1dhZ1GruUZS
InChI InChI=1S/C23H34N2O3Si/c1-26-23-13-9-8-12-22(23)25-16-14-24(15-17-25)18-21(28-29(2,3)4)19-27-20-10-6-5-7-11-20/h5-13,21H,14-19H2,1-4H3
InChIKey XZZISMYVXPCXSQ-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C23H34N2O3Si
Exact Mass 414.233869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CKKKVkpwVr
Name 1-[4-(2-Methoxyphenyl)-1-piperazinyl]-3-phenoxy-2-propanol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 414.233869495 u
Formula C23H34N2O3Si
InChI InChI=1S/C23H34N2O3Si/c1-26-23-13-9-8-12-22(23)25-16-14-24(15-17-25)18-21(28-29(2,3)4)19-27-20-10-6-5-7-11-20/h5-13,21H,14-19H2,1-4H3
InChIKey XZZISMYVXPCXSQ-UHFFFAOYSA-N
Molecular Weight 414.621 g/mol
SMILES C1=C(C(=CC=C1)N1CCN(CC1)CC(O[Si](C)(C)C)COC1=CC=CC=C1)OC