| SpectraBase Spectrum ID |
IxUBSC4KXf2 |
| Name |
(E/Z)-3-(o-Methylphenyl)-2-(p-methoxyphenyl)prop-2-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-13-5-3-4-6-15(13)11-16(12-18)14-7-9-17(19-2)10-8-14/h3-12H,1-2H3/b16-11- |
| InChIKey |
MNYPVJKNLQVIEO-WJDWOHSUSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C=1(\C(=C/C=2C(C)=CC=CC2)C=O)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947644 |
