| SpectraBase Spectrum ID |
DCU4GZN66AR |
| Name |
N-3-Fluorophenyl-N-[1-(1-phenylpropyl)piperidin-4-yl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.226391724 u |
| Formula |
C27H29FN2O |
| InChI |
InChI=1S/C27H29FN2O/c1-2-26(21-10-5-3-6-11-21)29-18-16-24(17-19-29)30(25-15-9-14-23(28)20-25)27(31)22-12-7-4-8-13-22/h3-15,20,24,26H,2,16-19H2,1H3 |
| InChIKey |
UNRGHWXUGDCQLB-UHFFFAOYSA-N |
| Molecular Weight |
416.540 g/mol |
| SMILES |
C1(N(C=2C=C(C=CC2)F)C(C=2C=CC=CC2)=O)CCN(C(C=2C=CC=CC2)CC)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838692 |