| SpectraBase Spectrum ID |
CaVGyGb7J1e |
| Name |
2-(3'-Phenylprop-1'-ynyl)-cyclooct-1-ene-1-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.151415263 u |
| Formula |
C18H20O |
| InChI |
InChI=1S/C18H20O/c19-15-18-13-7-2-1-6-12-17(18)14-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,1-2,6-7,11-13H2/b18-17- |
| InChIKey |
OXXFERMMDGPUMN-ZCXUNETKSA-N |
| Molecular Weight |
252.357 g/mol |
| SMILES |
C(=O)\C1=C/(C#CCC2=CC=CC=C2)CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970403 |
