SpectraBase Spectrum ID |
2HULJwIEwjt |
Name |
1-(4-Fluorophenyl)-1-pyrrolidino-2-phenylethane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.157977811 u |
Formula |
C18H20FN |
InChI |
InChI=1S/C18H20FN/c19-17-10-8-16(9-11-17)18(20-12-4-5-13-20)14-15-6-2-1-3-7-15/h1-3,6-11,18H,4-5,12-14H2 |
InChIKey |
SZTAIFHQYLWHOU-UHFFFAOYSA-N |
Molecular Weight |
269.363 g/mol |
SMILES |
C(N1CCCC1)(C1=CC=C(C=C1)F)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89691 |