SpectraBase Spectrum ID |
2wNznechq5P |
Name |
Benzamide, 3-fluoro-N-benzyl-N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
341.215492688 u |
Formula |
C22H28FNO |
InChI |
InChI=1S/C22H28FNO/c1-2-3-4-5-6-10-16-24(18-19-12-8-7-9-13-19)22(25)20-14-11-15-21(23)17-20/h7-9,11-15,17H,2-6,10,16,18H2,1H3 |
InChIKey |
ASBQSDSZRDGGMI-UHFFFAOYSA-N |
Molecular Weight |
341.470 g/mol |
SMILES |
C1=CC=C(C=C1F)C(N(CCCCCCCC)CC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859445 |