| SpectraBase Spectrum ID |
9myDEC8QkZ6 |
| Name |
1-(2-Isopropyl-5-methyl-phenoxy)-3-(4-phenyl-piperazin-1-yl)-propan-2-ol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.256942960 u |
| Formula |
C25H34N2O3 |
| InChI |
InChI=1S/C25H34N2O3/c1-19(2)24-11-10-20(3)16-25(24)29-18-23(30-21(4)28)17-26-12-14-27(15-13-26)22-8-6-5-7-9-22/h5-11,16,19,23H,12-15,17-18H2,1-4H3 |
| InChIKey |
LSCNOAYDOZNOOC-UHFFFAOYSA-N |
| Molecular Weight |
410.558 g/mol |
| SMILES |
C(OC1=C(C(C)C)C=CC(=C1)C)C(CN1CCN(CC1)C1=CC=CC=C1)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961193 |
