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, acetate

View entire compound with spectra: 1 NMR

1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol, acetate
SpectraBase Compound ID 5OMeUfVSf56
InChI InChI=1S/C24H34N2O4/c1-4-24(12-8-5-9-13-24)29-19-21(30-20(2)27)18-25-14-16-26(17-15-25)22-10-6-7-11-23(22)28-3/h1,6-7,10-11,21H,5,8-9,12-19H2,2-3H3
InChIKey ZERDRNBAEYGJLU-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H34N2O4
Exact Mass 414.251858 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 E2kf3jtYvCA
Name 1-(1-Ethynyl-cyclohexyloxy)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-2-ol, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.251857579 u
Formula C24H34N2O4
InChI InChI=1S/C24H34N2O4/c1-4-24(12-8-5-9-13-24)29-19-21(30-20(2)27)18-25-14-16-26(17-15-25)22-10-6-7-11-23(22)28-3/h1,6-7,10-11,21H,5,8-9,12-19H2,2-3H3
InChIKey ZERDRNBAEYGJLU-UHFFFAOYSA-N
Molecular Weight 414.546 g/mol
SMILES C(OC1(C#C)CCCCC1)C(CN1CCN(CC1)C1=C(OC)C=CC=C1)OC(C)=O