| SpectraBase Spectrum ID |
DtnR9Q51ePo |
| Name |
2-(3-(4-(4-Methoxyphenethyl)piperazin-1-yl)-2-hydroxypropoxy)-9H-xanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.231122133 u |
| Formula |
C29H32N2O5 |
| InChI |
InChI=1S/C29H32N2O5/c1-34-23-8-6-21(7-9-23)12-13-30-14-16-31(17-15-30)19-22(32)20-35-24-10-11-28-26(18-24)29(33)25-4-2-3-5-27(25)36-28/h2-11,18,22,32H,12-17,19-20H2,1H3 |
| InChIKey |
HBSYRQUNECAYFB-UHFFFAOYSA-N |
| Molecular Weight |
488.584 g/mol |
| SMILES |
C1(C=2C=C(C=CC2OC=2C=CC=CC12)OCC(CN1CCN(CC1)CCC=1C=CC(=CC1)OC)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965154 |
