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1-(2-Allyl-phenoxy)-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propan-2-ol
SpectraBase Compound ID 3rDgSYuXTzo
InChI InChI=1S/C18H28N2O3/c1-2-5-16-6-3-4-7-18(16)23-15-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-4,6-7,17,21-22H,1,5,8-15H2
InChIKey WSJJCWFXGXHMIA-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C18H28N2O3
Exact Mass 320.209993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DcdypPvbhW2
Name 1-(2-Allyl-phenoxy)-3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.209992767 u
Formula C18H28N2O3
InChI InChI=1S/C18H28N2O3/c1-2-5-16-6-3-4-7-18(16)23-15-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-4,6-7,17,21-22H,1,5,8-15H2
InChIKey WSJJCWFXGXHMIA-UHFFFAOYSA-N
Molecular Weight 320.433 g/mol
SMILES C1=CC=C(C(=C1)OCC(CN1CCN(CCO)CC1)O)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967353