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 |