SpectraBase Spectrum ID |
IrwJoYsg96E |
Name |
[4-(3-Iodopropylidene)cyclohexyl]benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.053145612 u |
Formula |
C15H19I |
InChI |
InChI=1S/C15H19I/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,5-7,15H,4,8-12H2/b13-5- |
InChIKey |
IXQHLIJQECNCSK-ACAGNQJTSA-N |
Molecular Weight |
326.221 g/mol |
SMILES |
C=1(C=CC=CC1)C1CCC(CC1)=CCCI |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927846 |