SpectraBase Spectrum ID |
DvA35Ujke6Q |
Name |
Benzene, 1-fluoro-4-(4-hexylcyclohexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.209679032 u |
Formula |
C18H27F |
InChI |
InChI=1S/C18H27F/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19)14-12-17/h11-16H,2-10H2,1H3 |
InChIKey |
LCQAFSNKNAGTOR-UHFFFAOYSA-N |
Molecular Weight |
262.412 g/mol |
SMILES |
C1(CCC(CC1)C=1C=CC(=CC1)F)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874765 |