| SpectraBase Spectrum ID |
ABdkjYSIxX6 |
| Name |
(E)-4-(3',4'-Methylenedioxyphenyl)-1-phenylbut-1-ene |
| 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/c1-2-6-14(7-3-1)8-4-5-9-15-10-11-16-17(12-15)19-13-18-16/h1-4,6-8,10-12H,5,9,13H2/b8-4+ |
| InChIKey |
SXNXXISPXXKLKO-XBXARRHUSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C1=CC(CC\C=C\C2=CC=CC=C2)=CC2=C1OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916819 |
