| SpectraBase Spectrum ID |
8Xl3NnAUt5Z |
| Name |
E)-3-Benzenesulfinyl-4-[2-((E)-3-phenyl-allyloxy)-phenyl]-but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.128965739 u |
| Formula |
C25H22O3S |
| InChI |
InChI=1S/C25H22O3S/c1-20(26)25(29(27)23-15-6-3-7-16-23)19-22-14-8-9-17-24(22)28-18-10-13-21-11-4-2-5-12-21/h2-17,19H,18H2,1H3/b13-10+,25-19+ |
| InChIKey |
MVHSSHLZCXSUCO-CUQWAZQQSA-N |
| Molecular Weight |
402.508 g/mol |
| SMILES |
C1(S(\C(=C\C=2C(OC\C=C\C=3C=CC=CC3)=CC=CC2)C(=O)C)=O)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935279 |
![E)-3-Benzenesulfinyl-4-[2-((E)-3-phenyl-allyloxy)-phenyl]-but-3-en-2-one](/api/spectrum/8Xl3NnAUt5Z/structure.png?h=300&w=458 "E)-3-Benzenesulfinyl-4-[2-((E)-3-phenyl-allyloxy)-phenyl]-but-3-en-2-one")
