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1-(2-Isopropyl-5-methyl-phenoxy)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol, tms

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1-(2-Isopropyl-5-methyl-phenoxy)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol, tms
SpectraBase Compound ID I8xvmxHZ24D
InChI InChI=1S/C26H40N2O2Si/c1-21(2)25-13-12-22(3)18-26(25)29-20-24(30-31(4,5)6)19-27-14-16-28(17-15-27)23-10-8-7-9-11-23/h7-13,18,21,24H,14-17,19-20H2,1-6H3
InChIKey BHSKTYJEARVFRU-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H40N2O2Si
Exact Mass 440.285905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4Wt6yAEyEv
Name 1-(2-Isopropyl-5-methyl-phenoxy)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.285905069 u
Formula C26H40N2O2Si
InChI InChI=1S/C26H40N2O2Si/c1-21(2)25-13-12-22(3)18-26(25)29-20-24(30-31(4,5)6)19-27-14-16-28(17-15-27)23-10-8-7-9-11-23/h7-13,18,21,24H,14-17,19-20H2,1-6H3
InChIKey BHSKTYJEARVFRU-UHFFFAOYSA-N
Molecular Weight 440.703 g/mol
SMILES C(OC1=C(C(C)C)C=CC(=C1)C)C(CN1CCN(CC1)C1=CC=CC=C1)O[Si](C)(C)C