| SpectraBase Spectrum ID |
4Ekfw2MfuHx |
| Name |
3-(3,4-Dimethoxyphenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)thio]propiophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.222866126 u |
| Formula |
C29H34O3S |
| InChI |
InChI=1S/C29H34O3S/c1-18-19(2)21(4)25(22(5)20(18)3)17-33-29(16-26(30)23-11-9-8-10-12-23)24-13-14-27(31-6)28(15-24)32-7/h8-15,29H,16-17H2,1-7H3 |
| InChIKey |
UZLJDDHLNQIRAJ-UHFFFAOYSA-N |
| Molecular Weight |
462.648 g/mol |
| SMILES |
C=1C(=CC=CC1)C(CC(SCC=1C(=C(C(=C(C1C)C)C)C)C)C=1C=C(C(=CC1)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.897101 |
![3-(3,4-Dimethoxyphenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)thio]propiophenone](/api/spectrum/4Ekfw2MfuHx/structure.png?h=300&w=458 "3-(3,4-Dimethoxyphenyl)-3-[(2,3,4,5,6-pentamethylbenzyl)thio]propiophenone")
