| SpectraBase Spectrum ID |
2O4XzWSK8u4 |
| Name |
4-[bis(Ethylthio)methyl]-5-methyl-2-phenyl-6-(2-phenyl-[1,3]dioxolan-4-yl)[1,3]dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.174201854 u |
| Formula |
C25H32O4S2 |
| InChI |
InChI=1S/C25H32O4S2/c1-4-30-25(31-5-2)22-17(3)21(28-24(29-22)19-14-10-7-11-15-19)20-16-26-23(27-20)18-12-8-6-9-13-18/h6-15,17,20-25H,4-5,16H2,1-3H3 |
| InChIKey |
BAKZGWFISRKCRW-UHFFFAOYSA-N |
| Molecular Weight |
460.647 g/mol |
| SMILES |
C1=CC=C(C=C1)C1OCC(O1)C1C(C)C(C(SCC)SCC)OC(O1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863641 |
![4-[Bis(ethylthio)methyl]-5-methyl-2-phenyl-6-(2-phenyl-[1,3]dioxolan-4-yl)[1,3]dioxane](/api/spectrum/2O4XzWSK8u4/structure.png?h=300&w=458 "4-[Bis(ethylthio)methyl]-5-methyl-2-phenyl-6-(2-phenyl-[1,3]dioxolan-4-yl)[1,3]dioxane")
