| SpectraBase Spectrum ID |
B3ea9Pxk6Vn |
| Name |
1-(2-Adamantan-1-yl-ethoxy)-3-[4-(4-fluorophenyl)-piperazin-1-ylmorpho-propan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.283906600 u |
| Formula |
C25H37FN2O2 |
| InChI |
InChI=1S/C25H37FN2O2/c26-22-1-3-23(4-2-22)28-8-6-27(7-9-28)17-24(29)18-30-10-5-25-14-19-11-20(15-25)13-21(12-19)16-25/h1-4,19-21,24,29H,5-18H2 |
| InChIKey |
CJVDGQNXVPOXBG-UHFFFAOYSA-N |
| Molecular Weight |
416.581 g/mol |
| SMILES |
C12(CC3CC(C2)CC(C1)C3)CCOCC(CN1CCN(C2=CC=C(C=C2)F)CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940333 |
