| SpectraBase Spectrum ID |
KkPx0cNp24W |
| Name |
1-(3-Methylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol, methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.215078148 u |
| Formula |
C21H28N2O2 |
| InChI |
InChI=1S/C21H28N2O2/c1-18-7-6-10-20(15-18)25-17-21(24-2)16-22-11-13-23(14-12-22)19-8-4-3-5-9-19/h3-10,15,21H,11-14,16-17H2,1-2H3 |
| InChIKey |
VMYLBIXLGKCXGQ-UHFFFAOYSA-N |
| Molecular Weight |
340.467 g/mol |
| SMILES |
C(C(COC1=CC(C)=CC=C1)OC)N1CCN(CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960542 |
