For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol, tms

View entire compound with spectra: 1 NMR

1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol, tms
SpectraBase Compound ID DuZZWN84wt7
InChI InChI=1S/C25H40N2O3Si/c1-6-25(14-10-7-11-15-25)29-21-22(30-31(3,4)5)20-26-16-18-27(19-17-26)23-12-8-9-13-24(23)28-2/h1,8-9,12-13,22H,7,10-11,14-21H2,2-5H3
InChIKey KHJIVJLMICDEIO-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C25H40N2O3Si
Exact Mass 444.28082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4rSEwaPyaXb
Name 1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-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 444.280819688 u
Formula C25H40N2O3Si
InChI InChI=1S/C25H40N2O3Si/c1-6-25(14-10-7-11-15-25)29-21-22(30-31(3,4)5)20-26-16-18-27(19-17-26)23-12-8-9-13-24(23)28-2/h1,8-9,12-13,22H,7,10-11,14-21H2,2-5H3
InChIKey KHJIVJLMICDEIO-UHFFFAOYSA-N
Molecular Weight 444.691 g/mol
SMILES C(OC1(C#C)CCCCC1)C(CN1CCN(CC1)C1=C(OC)C=CC=C1)O[Si](C)(C)C