| SpectraBase Spectrum ID |
LnZ74NOMD9D |
| Name |
5-(2'-Methoxyphenyl)-2-methyl-4-penten-1-al |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-11(10-14)6-5-8-12-7-3-4-9-13(12)15-2/h3-5,7-11H,6H2,1-2H3/b8-5+ |
| InChIKey |
RFUULNUTOKJWFD-VMPITWQZSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C=1(\C=C\CC(C=O)C)C(OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950806 |
